(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide

C18H24N4O — CID 128984584

IUPAC(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H24N4O/c1-13-9-22(10-15-7-5-4-6-8-15)11-16(13)18(23)19-17-12-21(3)20-14(17)2/h4-8,12-13,16H,9-11H2,1-3H3,(H,19,23)/t13-,16-/m1/s1
InChIKeyLYKFWGRLRPSSPZ-CZUORRHYSA-N
MW312.42 g/mol
LogP2.44
Rot. Bonds4

About (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide

(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 128984584) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide
PubChem CID128984584
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H24N4O/c1-13-9-22(10-15-7-5-4-6-8-15)11-16(13)18(23)19-17-12-21(3)20-14(17)2/h4-8,12-13,16H,9-11H2,1-3H3,(H,19,23)/t13-,16-/m1/s1
InChIKeyLYKFWGRLRPSSPZ-CZUORRHYSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-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-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
CID 166256732
(3S,4S)-1-benzyl-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylpyrrolidine-3-carboxamide
CID 128986087
(3S,4S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-benzyl-4-methylpyrrolidine-3-carboxamide
CID 128980173
6-[(1,3-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620255
(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 124957917
4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 110122356
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
CID 18723473
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 128984998

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide (CID 128984584) is (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide is Cc1nn(C)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is LYKFWGRLRPSSPZ-CZUORRHYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-9-22(10-15-7-5-4-6-8-15)11-16(13)18(23)19-17-12-21(3)20-14(17)2/h4-8,12-13,16H,9-11H2,1-3H3,(H,19,23)/t13-,16-/m1/s1.
What are the key properties of (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128984584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).