1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole

C15H16N4 — CID 118864230

IUPAC1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole
SMILESCc1cc(Cn2cc(-c3ccccc3)cn2)n(C)n1
InChIInChI=1S/C15H16N4/c1-12-8-15(18(2)17-12)11-19-10-14(9-16-19)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyTXJIMPPHALVHGH-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.64
Rot. Bonds3

About 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole

1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole (PubChem CID 118864230) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole
PubChem CID118864230
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole
SMILESCc1cc(Cn2cc(-c3ccccc3)cn2)n(C)n1
InChIInChI=1S/C15H16N4/c1-12-8-15(18(2)17-12)11-19-10-14(9-16-19)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyTXJIMPPHALVHGH-UHFFFAOYSA-N
XLogP2.64
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole (CID 118864230) is 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole is Cc1cc(Cn2cc(-c3ccccc3)cn2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole?
The InChIKey is TXJIMPPHALVHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-12-8-15(18(2)17-12)11-19-10-14(9-16-19)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole?
1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole has a molecular weight of 252.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 118864230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).