N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide

C18H16N6O2 — CID 86804269

IUPACN-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)c1cccc2n[nH]nc12
InChIInChI=1S/C18H16N6O2/c25-18(15-6-2-7-16-17(15)22-23-21-16)20-13-4-1-5-14(12-13)26-11-10-24-9-3-8-19-24/h1-9,12H,10-11H2,(H,20,25)(H,21,22,23)
InChIKeyKDXSRRSAWHYGDF-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.49
Rot. Bonds6

About N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide

N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide (PubChem CID 86804269) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
PubChem CID86804269
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)c1cccc2n[nH]nc12
InChIInChI=1S/C18H16N6O2/c25-18(15-6-2-7-16-17(15)22-23-21-16)20-13-4-1-5-14(12-13)26-11-10-24-9-3-8-19-24/h1-9,12H,10-11H2,(H,20,25)(H,21,22,23)
InChIKeyKDXSRRSAWHYGDF-UHFFFAOYSA-N
XLogP2.49
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55880459
2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55766528
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
CID 55766765
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
CID 55854489
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55968651

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide?
The IUPAC name of N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide (CID 86804269) is N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide?
The canonical SMILES for N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide is O=C(Nc1cccc(OCCn2cccn2)c1)c1cccc2n[nH]nc12.
What is the InChIKey of N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide?
The InChIKey is KDXSRRSAWHYGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-18(15-6-2-7-16-17(15)22-23-21-16)20-13-4-1-5-14(12-13)26-11-10-24-9-3-8-19-24/h1-9,12H,10-11H2,(H,20,25)(H,21,22,23).
What are the key properties of N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide?
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 86804269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).