(3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide

C16H28N4O — CID 164625657

IUPAC(3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide
SMILESCCCCn1cc(CNC(=O)N2CC[C@H](CC)C2)c(C)n1
InChIInChI=1S/C16H28N4O/c1-4-6-8-20-12-15(13(3)18-20)10-17-16(21)19-9-7-14(5-2)11-19/h12,14H,4-11H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyJQCSRWYZHJCAEO-AWEZNQCLSA-N
MW292.43 g/mol
LogP2.93
Rot. Bonds6

About (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide

(3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide (PubChem CID 164625657) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide
PubChem CID164625657
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide
SMILESCCCCn1cc(CNC(=O)N2CC[C@H](CC)C2)c(C)n1
InChIInChI=1S/C16H28N4O/c1-4-6-8-20-12-15(13(3)18-20)10-17-16(21)19-9-7-14(5-2)11-19/h12,14H,4-11H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyJQCSRWYZHJCAEO-AWEZNQCLSA-N
XLogP2.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-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

1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
N-butyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 4121012
4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 53499020
N-cyclohexyl-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 841979
N-[2-(1,5-Dimethylpyrazol-4-YL)ethyl]-3,5-dimethylazepane-1-carboxamide
CID 71910881
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]glycinamide
CID 86285523
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99621906
1-(cyclobutylmethyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-propan-2-ylurea
CID 99838721
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 118762532
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide
CID 126806352
(3aR,7aS)-5-[(1,4-dimethylpyrazol-3-yl)methyl]-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 136585554

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide (CID 164625657) is (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide is CCCCn1cc(CNC(=O)N2CC[C@H](CC)C2)c(C)n1.
What is the InChIKey of (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide?
The InChIKey is JQCSRWYZHJCAEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-8-20-12-15(13(3)18-20)10-17-16(21)19-9-7-14(5-2)11-19/h12,14H,4-11H2,1-3H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide?
(3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 164625657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).