N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide

C12H12N6O — CID 115692336

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H12N6O/c1-2-7-6-13-17-11(7)14-12(19)8-3-4-9-10(5-8)16-18-15-9/h3-6H,2H2,1H3,(H,15,16,18)(H2,13,14,17,19)
InChIKeyMXZVYHPNQQPTCV-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.50
Rot. Bonds3

About N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide

N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 115692336) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
PubChem CID115692336
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H12N6O/c1-2-7-6-13-17-11(7)14-12(19)8-3-4-9-10(5-8)16-18-15-9/h3-6H,2H2,1H3,(H,15,16,18)(H2,13,14,17,19)
InChIKeyMXZVYHPNQQPTCV-UHFFFAOYSA-N
XLogP1.50
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945
4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 112699962
N-(4-ethyl-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 115680812
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 113258806
N-(4-ethyl-1H-pyrazol-5-yl)pyrimidine-5-carboxamide
CID 104629328
4-[(dimethylamino)methyl]-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 115692357
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 110468858
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 62039846
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide (CID 115692336) is N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide is CCc1cn[nH]c1NC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is MXZVYHPNQQPTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-2-7-6-13-17-11(7)14-12(19)8-3-4-9-10(5-8)16-18-15-9/h3-6H,2H2,1H3,(H,15,16,18)(H2,13,14,17,19).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 115692336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).