(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

C20H26N4O — CID 154800374

IUPAC(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1c([C@H]2CN(Cc3cccc(C4CC4)c3)C[C@@H]2C(N)=O)cnn1C
InChIInChI=1S/C20H26N4O/c1-13-17(9-22-23(13)2)18-11-24(12-19(18)20(21)25)10-14-4-3-5-16(8-14)15-6-7-15/h3-5,8-9,15,18-19H,6-7,10-12H2,1-2H3,(H2,21,25)/t18-,19+/m1/s1
InChIKeyDHEDDROHPIMDKI-MOPGFXCFSA-N
MW338.45 g/mol
LogP2.31
Rot. Bonds5

About (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 154800374) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID154800374
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1c([C@H]2CN(Cc3cccc(C4CC4)c3)C[C@@H]2C(N)=O)cnn1C
InChIInChI=1S/C20H26N4O/c1-13-17(9-22-23(13)2)18-11-24(12-19(18)20(21)25)10-14-4-3-5-16(8-14)15-6-7-15/h3-5,8-9,15,18-19H,6-7,10-12H2,1-2H3,(H2,21,25)/t18-,19+/m1/s1
InChIKeyDHEDDROHPIMDKI-MOPGFXCFSA-N
XLogP2.31
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)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

(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 167987924
(3R,4S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 167752897
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 154800186
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
CID 79978496
1-(3-cyclopropylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 106037870
(3R,4S)-4-(1,5-dimethylpyrazol-4-yl)-1-[1-(ethoxymethyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 167843838
(3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide
CID 154801731
(3S,5R)-1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 156693653
1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 79983915
(3R,4S)-1-[(4-methyl-3-nitrophenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 154764645
(3R,4S)-1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 138055711

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 154800374) is (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is Cc1c([C@H]2CN(Cc3cccc(C4CC4)c3)C[C@@H]2C(N)=O)cnn1C.
What is the InChIKey of (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is DHEDDROHPIMDKI-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-17(9-22-23(13)2)18-11-24(12-19(18)20(21)25)10-14-4-3-5-16(8-14)15-6-7-15/h3-5,8-9,15,18-19H,6-7,10-12H2,1-2H3,(H2,21,25)/t18-,19+/m1/s1.
What are the key properties of (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(3-cyclopropylphenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154800374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).