N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide

C19H19N3O — CID 17488509

IUPACN-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19N3O/c23-18(17-15-9-4-5-10-16(15)21-22-17)20-13-19(11-6-12-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,20,23)(H,21,22)
InChIKeyJDKDWFWKUFNWKA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.41
Rot. Bonds4

About N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide

N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 17488509) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide
PubChem CID17488509
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19N3O/c23-18(17-15-9-4-5-10-16(15)21-22-17)20-13-19(11-6-12-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,20,23)(H,21,22)
InChIKeyJDKDWFWKUFNWKA-UHFFFAOYSA-N
XLogP3.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 103737418
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449941
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 52735058
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 114751357
N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 67545489
N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 110475489
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 103800055
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[1-[(dimethylamino)methyl]cyclobutyl]-1H-indazole-3-carboxamide
CID 154735264
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide
CID 91920216
N-(1-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 61229539
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide (CID 17488509) is N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide is O=C(NCC1(c2ccccc2)CCC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is JDKDWFWKUFNWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-18(17-15-9-4-5-10-16(15)21-22-17)20-13-19(11-6-12-19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,20,23)(H,21,22).
What are the key properties of N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide?
N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 17488509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).