N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide

C13H14ClN5O — CID 121178780

IUPACN-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(n2nccn2)C1
InChIInChI=1S/C13H14ClN5O/c14-10-2-1-3-11(8-10)17-13(20)18-7-4-12(9-18)19-15-5-6-16-19/h1-3,5-6,8,12H,4,7,9H2,(H,17,20)
InChIKeyAKAYBNFIYDJJOC-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.41
Rot. Bonds2

About N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide

N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 121178780) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID121178780
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC NameN-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(n2nccn2)C1
InChIInChI=1S/C13H14ClN5O/c14-10-2-1-3-11(8-10)17-13(20)18-7-4-12(9-18)19-15-5-6-16-19/h1-3,5-6,8,12H,4,7,9H2,(H,17,20)
InChIKeyAKAYBNFIYDJJOC-UHFFFAOYSA-N
XLogP2.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
N-(3-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140704
N-(3-chlorophenyl)-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 121156730
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide
CID 121150643
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide (CID 121178780) is N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(n2nccn2)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is AKAYBNFIYDJJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-10-2-1-3-11(8-10)17-13(20)18-7-4-12(9-18)19-15-5-6-16-19/h1-3,5-6,8,12H,4,7,9H2,(H,17,20).
What are the key properties of N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide?
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121178780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).