1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide

C25H23ClN4O — CID 117073630

IUPAC1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CN(Cc2ccccc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN4O/c26-20-8-4-7-18(11-20)22-15-30(14-17-5-2-1-3-6-17)16-23(22)25(31)28-21-9-10-24-19(12-21)13-27-29-24/h1-13,22-23H,14-16H2,(H,27,29)(H,28,31)
InChIKeyHBPOVGHKLLSPHH-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.07
Rot. Bonds5

About 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide

1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 117073630) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID117073630
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CN(Cc2ccccc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN4O/c26-20-8-4-7-18(11-20)22-15-30(14-17-5-2-1-3-6-17)16-23(22)25(31)28-21-9-10-24-19(12-21)13-27-29-24/h1-13,22-23H,14-16H2,(H,27,29)(H,28,31)
InChIKeyHBPOVGHKLLSPHH-UHFFFAOYSA-N
XLogP5.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073640
1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 117073646
1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117073639
(3R,4S)-1-benzyl-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 46839560
(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839438
N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide
CID 166313243
1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
CID 156611571
6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91362790
(2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 117073955
(3S)-1-[[3-(1H-indazol-5-ylcarbamoyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 95224007
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (CID 117073630) is 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)C1CN(Cc2ccccc2)CC1c1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is HBPOVGHKLLSPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-20-8-4-7-18(11-20)22-15-30(14-17-5-2-1-3-6-17)16-23(22)25(31)28-21-9-10-24-19(12-21)13-27-29-24/h1-13,22-23H,14-16H2,(H,27,29)(H,28,31).
What are the key properties of 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117073630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).