N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide

C11H9ClN6O — CID 166329291

IUPACN-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cn[nH]c2Cl)cc2n[nH]nc12
InChIInChI=1S/C11H9ClN6O/c1-5-2-6(3-7-9(5)16-18-15-7)11(19)14-8-4-13-17-10(8)12/h2-4H,1H3,(H,13,17)(H,14,19)(H,15,16,18)
InChIKeyYTJOMCVUMZKXOO-UHFFFAOYSA-N
MW276.69 g/mol
LogP1.90
Rot. Bonds2

About N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide

N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide (PubChem CID 166329291) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide
PubChem CID166329291
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC NameN-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cn[nH]c2Cl)cc2n[nH]nc12
InChIInChI=1S/C11H9ClN6O/c1-5-2-6(3-7-9(5)16-18-15-7)11(19)14-8-4-13-17-10(8)12/h2-4H,1H3,(H,13,17)(H,14,19)(H,15,16,18)
InChIKeyYTJOMCVUMZKXOO-UHFFFAOYSA-N
XLogP1.90
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide
CID 130905185
N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 56783123
4-(aminomethyl)-3,5-dimethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120510
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336
5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 47470885
N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide
CID 110732146
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
CID 135804549
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 115629999
[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate
CID 174510787
3,5-dimethyl-N-[2-oxo-2-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]ethyl]benzamide
CID 86796993

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide (CID 166329291) is N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide is Cc1cc(C(=O)Nc2cn[nH]c2Cl)cc2n[nH]nc12.
What is the InChIKey of N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide?
The InChIKey is YTJOMCVUMZKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O/c1-5-2-6(3-7-9(5)16-18-15-7)11(19)14-8-4-13-17-10(8)12/h2-4H,1H3,(H,13,17)(H,14,19)(H,15,16,18).
What are the key properties of N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide?
N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide has a molecular weight of 276.69 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrazol-4-yl)-7-methyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 166329291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).