N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide

C17H19N3O — CID 166631798

IUPACN-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1)C1CC1
InChIInChI=1S/C17H19N3O/c21-17(12-9-10-12)19-15-7-4-8-16-14(15)11-18-20(16)13-5-2-1-3-6-13/h1-3,5-6,11-12,15H,4,7-10H2,(H,19,21)
InChIKeyPALKBGQMXWCZHA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds3

About N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide

N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide (PubChem CID 166631798) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
PubChem CID166631798
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1)C1CC1
InChIInChI=1S/C17H19N3O/c21-17(12-9-10-12)19-15-7-4-8-16-14(15)11-18-20(16)13-5-2-1-3-6-13/h1-3,5-6,11-12,15H,4,7-10H2,(H,19,21)
InChIKeyPALKBGQMXWCZHA-UHFFFAOYSA-N
XLogP2.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopentanecarboxamide
CID 25384334
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
1-ethyl-N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrole-2-carboxamide
CID 167825607
1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
CID 24794165
(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 51494514
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxy-2-methylpropanamide
CID 45191398
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 23723477
1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 129104721
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55635619

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide (CID 166631798) is N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide is O=C(NC1CCCc2c1cnn2-c1ccccc1)C1CC1.
What is the InChIKey of N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide?
The InChIKey is PALKBGQMXWCZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(12-9-10-12)19-15-7-4-8-16-14(15)11-18-20(16)13-5-2-1-3-6-13/h1-3,5-6,11-12,15H,4,7-10H2,(H,19,21).
What are the key properties of N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide?
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 166631798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).