(3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C15H25N5O — CID 138028932

IUPAC(3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCCNC(=O)N1C[C@@H](c2n[nH]c(C)n2)[C@H](C2CC2)C1
InChIInChI=1S/C15H25N5O/c1-3-4-7-16-15(21)20-8-12(11-5-6-11)13(9-20)14-17-10(2)18-19-14/h11-13H,3-9H2,1-2H3,(H,16,21)(H,17,18,19)/t12-,13+/m0/s1
InChIKeyMDNBYSRIQDDUOW-QWHCGFSZSA-N
MW291.40 g/mol
LogP2.05
Rot. Bonds5

About (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

(3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 138028932) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID138028932
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCCNC(=O)N1C[C@@H](c2n[nH]c(C)n2)[C@H](C2CC2)C1
InChIInChI=1S/C15H25N5O/c1-3-4-7-16-15(21)20-8-12(11-5-6-11)13(9-20)14-17-10(2)18-19-14/h11-13H,3-9H2,1-2H3,(H,16,21)(H,17,18,19)/t12-,13+/m0/s1
InChIKeyMDNBYSRIQDDUOW-QWHCGFSZSA-N
XLogP2.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-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

[(3S,4S)-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-[2-(2-methylpropyl)pyrazol-3-yl]methanone
CID 146106121
2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide
CID 146143039
N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126822230
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide
CID 126441556
N-butyl-3-piperidin-4-yloxyazetidine-1-carboxamide
CID 165450809
(3aR,7aR)-N-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-6-carboxamide
CID 178199557
4-[(3S,4S)-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pyrimidine-2-carbonitrile
CID 136588982
N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 114507061
N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 154760637
4-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022397
N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
CID 2805781

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 138028932) is (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is CCCCNC(=O)N1C[C@@H](c2n[nH]c(C)n2)[C@H](C2CC2)C1.
What is the InChIKey of (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is MDNBYSRIQDDUOW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-4-7-16-15(21)20-8-12(11-5-6-11)13(9-20)14-17-10(2)18-19-14/h11-13H,3-9H2,1-2H3,(H,16,21)(H,17,18,19)/t12-,13+/m0/s1.
What are the key properties of (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
(3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-butyl-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 138028932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).