N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide

C22H18N4O — CID 11617333

IUPACN-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cn1
InChIInChI=1S/C22H18N4O/c1-16-12-13-18(15-23-16)22(27)24-21-14-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,27)
InChIKeyKLTHFHWXGRHBGM-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.50
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide

N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide (PubChem CID 11617333) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide
PubChem CID11617333
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cn1
InChIInChI=1S/C22H18N4O/c1-16-12-13-18(15-23-16)22(27)24-21-14-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,27)
InChIKeyKLTHFHWXGRHBGM-UHFFFAOYSA-N
XLogP4.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide (CID 11617333) is N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cn1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is KLTHFHWXGRHBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-16-12-13-18(15-23-16)22(27)24-21-14-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide?
N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 11617333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).