1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole

C18H22N4 — CID 5256270

IUPAC1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)c2)n1
InChIInChI=1S/C18H22N4/c1-13-8-15(3)21(19-13)11-17-6-5-7-18(10-17)12-22-16(4)9-14(2)20-22/h5-10H,11-12H2,1-4H3
InChIKeyKQLAWIVLOFXKJJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.41
Rot. Bonds4

About 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole

1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole (PubChem CID 5256270) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole
PubChem CID5256270
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)c2)n1
InChIInChI=1S/C18H22N4/c1-13-8-15(3)21(19-13)11-17-6-5-7-18(10-17)12-22-16(4)9-14(2)20-22/h5-10H,11-12H2,1-4H3
InChIKeyKQLAWIVLOFXKJJ-UHFFFAOYSA-N
XLogP3.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole (CID 5256270) is 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)c2)n1.
What is the InChIKey of 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole?
The InChIKey is KQLAWIVLOFXKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-13-8-15(3)21(19-13)11-17-6-5-7-18(10-17)12-22-16(4)9-14(2)20-22/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole?
1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole has a molecular weight of 294.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 5256270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).