N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide

C16H13N7O — CID 51101879

IUPACN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C16H13N7O/c24-16(12-1-2-13-14(9-12)20-22-19-13)18-15-5-8-23(21-15)10-11-3-6-17-7-4-11/h1-9H,10H2,(H,18,21,24)(H,19,20,22)
InChIKeyGVJRVYSZYZCOLO-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.85
Rot. Bonds4

About N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide

N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 51101879) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
PubChem CID51101879
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C16H13N7O/c24-16(12-1-2-13-14(9-12)20-22-19-13)18-15-5-8-23(21-15)10-11-3-6-17-7-4-11/h1-9H,10H2,(H,18,21,24)(H,19,20,22)
InChIKeyGVJRVYSZYZCOLO-UHFFFAOYSA-N
XLogP1.85
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 51101500
3-(2-oxoimidazolidin-1-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide
CID 51129993
N-[2-fluoro-4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 166218439
4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide
CID 51101878
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
4-methylbenzoic acid;4-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163685789
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
5-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 166207454

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide (CID 51101879) is N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide is O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is GVJRVYSZYZCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c24-16(12-1-2-13-14(9-12)20-22-19-13)18-15-5-8-23(21-15)10-11-3-6-17-7-4-11/h1-9H,10H2,(H,18,21,24)(H,19,20,22).
What are the key properties of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide?
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 51101879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).