(3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide

C18H25N5O — CID 164638213

IUPAC(3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1n[nH]c(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C18H25N5O/c1-13(2)17-20-16(21-22-17)10-19-18(24)15-8-9-23(12-15)11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,24)(H,20,21,22)/t15-/m0/s1
InChIKeyOKYXPKAIVPKUFK-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.07
Rot. Bonds6

About (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide

(3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 164638213) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID164638213
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1n[nH]c(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C18H25N5O/c1-13(2)17-20-16(21-22-17)10-19-18(24)15-8-9-23(12-15)11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,24)(H,20,21,22)/t15-/m0/s1
InChIKeyOKYXPKAIVPKUFK-HNNXBMFYSA-N
XLogP2.07
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]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

N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 47072465
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 51092911
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
(3S)-1-benzyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine-3-carboxamide
CID 100777299
1-benzyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine-3-carboxamide
CID 133159165
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 164638213) is (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide is CC(C)c1n[nH]c(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is OKYXPKAIVPKUFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)17-20-16(21-22-17)10-19-18(24)15-8-9-23(12-15)11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,24)(H,20,21,22)/t15-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 164638213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).