(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide

C16H18ClN5O2 — CID 95179936

IUPAC(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCCc1c(C(=O)N2CC[C@H](C(N)=O)C2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN5O2/c1-2-13-14(16(24)21-7-6-10(9-21)15(18)23)19-20-22(13)12-5-3-4-11(17)8-12/h3-5,8,10H,2,6-7,9H2,1H3,(H2,18,23)/t10-/m0/s1
InChIKeyWNAPPRUEQDWNHH-JTQLQIEISA-N
MW347.81 g/mol
LogP1.43
Rot. Bonds4

About (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide

(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 95179936) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID95179936
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCCc1c(C(=O)N2CC[C@H](C(N)=O)C2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN5O2/c1-2-13-14(16(24)21-7-6-10(9-21)15(18)23)19-20-22(13)12-5-3-4-11(17)8-12/h3-5,8,10H,2,6-7,9H2,1H3,(H2,18,23)/t10-/m0/s1
InChIKeyWNAPPRUEQDWNHH-JTQLQIEISA-N
XLogP1.43
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395236
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119622015
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539873
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-propyltriazol-4-yl]methanone;hydrochloride
CID 119594219
1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119754
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645711
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577915
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95149478
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675762
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119424738
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119424737

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide (CID 95179936) is (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide is CCc1c(C(=O)N2CC[C@H](C(N)=O)C2)nnn1-c1cccc(Cl)c1.
What is the InChIKey of (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is WNAPPRUEQDWNHH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-2-13-14(16(24)21-7-6-10(9-21)15(18)23)19-20-22(13)12-5-3-4-11(17)8-12/h3-5,8,10H,2,6-7,9H2,1H3,(H2,18,23)/t10-/m0/s1.
What are the key properties of (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide?
(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95179936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).