bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine

C168H239FN34O — CID 158505683

IUPACbis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
SMILESCC(C)c1ccco1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2(F)CCCC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn(Cc2cccnc2)c1.Cc1c(C(C)C)cnn1-c1ccccc1.Cc1ccc(-n2cc(C(C)C)cn2)cc1
InChIInChI=1S/4C13H16N2.C12H19FN2.2C12H15N3.C12H14N2.C10H16N2.C9H14N2.6C7H12N2.C7H10O/c1-10(2)12-8-14-15(9-12)13-6-4-11(3)5-7-13;1-10(2)13-9-14-15(11(13)3)12-7-5-4-6-8-12;2*1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-7(2)8-5-10-11(6-8)9-3-4-9;6*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7/h2*4-10H,1-3H3;2*3-8,10-11H,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5-7,9H,3-4H2,1-2H3;6*4-6H,1-3H3;3-6H,1-2H3
InChIKeyHKKZGWYJSVZOKF-UHFFFAOYSA-N
MW2769.99 g/mol
LogP40.32
Rot. Bonds33

About bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine

bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine (PubChem CID 158505683) has the molecular formula C168H239FN34O and a molecular weight of 2769.99 g/mol. Its IUPAC name is bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Namebis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
PubChem CID158505683
Molecular FormulaC168H239FN34O
Molecular Weight2769.99 g/mol
Exact Mass2767.97
IUPAC Namebis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
SMILESCC(C)c1ccco1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2(F)CCCC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn(Cc2cccnc2)c1.Cc1c(C(C)C)cnn1-c1ccccc1.Cc1ccc(-n2cc(C(C)C)cn2)cc1
InChIInChI=1S/4C13H16N2.C12H19FN2.2C12H15N3.C12H14N2.C10H16N2.C9H14N2.6C7H12N2.C7H10O/c1-10(2)12-8-14-15(9-12)13-6-4-11(3)5-7-13;1-10(2)13-9-14-15(11(13)3)12-7-5-4-6-8-12;2*1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-7(2)8-5-10-11(6-8)9-3-4-9;6*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7/h2*4-10H,1-3H3;2*3-8,10-11H,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5-7,9H,3-4H2,1-2H3;6*4-6H,1-3H3;3-6H,1-2H3
InChIKeyHKKZGWYJSVZOKF-UHFFFAOYSA-N
XLogP40.32
TPSA324.04 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002769.99
LogP ≤ 540.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine (CID 158505683) is bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine is CC(C)c1ccco1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2(F)CCCC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn(Cc2cccnc2)c1.Cc1c(C(C)C)cnn1-c1ccccc1.Cc1ccc(-n2cc(C(C)C)cn2)cc1.
What is the InChIKey of bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine?
The InChIKey is HKKZGWYJSVZOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H16N2.C12H19FN2.2C12H15N3.C12H14N2.C10H16N2.C9H14N2.6C7H12N2.C7H10O/c1-10(2)12-8-14-15(9-12)13-6-4-11(3)5-7-13;1-10(2)13-9-14-15(11(13)3)12-7-5-4-6-8-12;2*1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-7(2)8-5-10-11(6-8)9-3-4-9;6*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7/h2*4-10H,1-3H3;2*3-8,10-11H,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5-7,9H,3-4H2,1-2H3;6*4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine?
bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine has a molecular weight of 2769.99 g/mol, XLogP of 40.32, 33 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 158505683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).