N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide

C20H21ClN4O — CID 24638668

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H21ClN4O/c21-16-9-3-1-7-14(16)18(25-11-5-6-12-25)13-22-20(26)19-15-8-2-4-10-17(15)23-24-19/h1-4,7-10,18H,5-6,11-13H2,(H,22,26)(H,23,24)
InChIKeyMDJOFLMXDIHEMX-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide (PubChem CID 24638668) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
PubChem CID24638668
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H21ClN4O/c21-16-9-3-1-7-14(16)18(25-11-5-6-12-25)13-22-20(26)19-15-8-2-4-10-17(15)23-24-19/h1-4,7-10,18H,5-6,11-13H2,(H,22,26)(H,23,24)
InChIKeyMDJOFLMXDIHEMX-UHFFFAOYSA-N
XLogP3.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 52798650
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43005804
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide
CID 18288172
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 167942351
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 39959510
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 51926791
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1H-indazole-3-carboxamide
CID 60593064
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 167839511
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17013868

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide (CID 24638668) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide is O=C(NCC(c1ccccc1Cl)N1CCCC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide?
The InChIKey is MDJOFLMXDIHEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-16-9-3-1-7-14(16)18(25-11-5-6-12-25)13-22-20(26)19-15-8-2-4-10-17(15)23-24-19/h1-4,7-10,18H,5-6,11-13H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 24638668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).