N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide

C21H24N4O — CID 52798650

IUPACN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2n[nH]c3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C21H24N4O/c1-15-8-10-16(11-9-15)19(25-12-4-5-13-25)14-22-21(26)20-17-6-2-3-7-18(17)23-24-20/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,26)(H,23,24)/t19-/m0/s1
InChIKeyROPSOPCTCKXNJO-IBGZPJMESA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds5

About N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide

N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide (PubChem CID 52798650) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
PubChem CID52798650
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2n[nH]c3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C21H24N4O/c1-15-8-10-16(11-9-15)19(25-12-4-5-13-25)14-22-21(26)20-17-6-2-3-7-18(17)23-24-20/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,26)(H,23,24)/t19-/m0/s1
InChIKeyROPSOPCTCKXNJO-IBGZPJMESA-N
XLogP3.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 24638668
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859024
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-indazole-3-carboxamide
CID 99970306
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 35181299
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1H-indazole-3-carboxamide
CID 60593064
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 35041782
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43855019

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide (CID 52798650) is N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide is Cc1ccc([C@H](CNC(=O)c2n[nH]c3ccccc23)N2CCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide?
The InChIKey is ROPSOPCTCKXNJO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-8-10-16(11-9-15)19(25-12-4-5-13-25)14-22-21(26)20-17-6-2-3-7-18(17)23-24-20/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,26)(H,23,24)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide?
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 52798650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).