4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide

C19H15ClN6O — CID 75358528

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C19H15ClN6O/c20-16-10-22-26(12-16)11-13-1-3-15(4-2-13)19(27)23-18-9-17(24-25-18)14-5-7-21-8-6-14/h1-10,12H,11H2,(H2,23,24,25,27)
InChIKeyWSCGUVOAIROZAY-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.62
Rot. Bonds5

About 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide

4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 75358528) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
PubChem CID75358528
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C19H15ClN6O/c20-16-10-22-26(12-16)11-13-1-3-15(4-2-13)19(27)23-18-9-17(24-25-18)14-5-7-21-8-6-14/h1-10,12H,11H2,(H2,23,24,25,27)
InChIKeyWSCGUVOAIROZAY-UHFFFAOYSA-N
XLogP3.62
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 75358524
4-[(4-chloropyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35323173
N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
CID 35322937
1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752902
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 35323043
1,5-dimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752897
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
methyl 3-chloro-6-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 17021846
3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753100

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide (CID 75358528) is 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is WSCGUVOAIROZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c20-16-10-22-26(12-16)11-13-1-3-15(4-2-13)19(27)23-18-9-17(24-25-18)14-5-7-21-8-6-14/h1-10,12H,11H2,(H2,23,24,25,27).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 378.82 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 75358528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).