(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid

C20H25N3O3 — CID 70749566

IUPAC(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
SMILESCc1cc(C)n(CCCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C20H25N3O3/c1-14-11-15(2)23(21-14)10-6-9-19(24)22-12-17(18(13-22)20(25)26)16-7-4-3-5-8-16/h3-5,7-8,11,17-18H,6,9-10,12-13H2,1-2H3,(H,25,26)/t17-,18+/m0/s1
InChIKeyRPGQGRWLAJBSSC-ZWKOTPCHSA-N
MW355.44 g/mol
LogP2.61
Rot. Bonds6

About (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid

(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid (PubChem CID 70749566) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
PubChem CID70749566
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
SMILESCc1cc(C)n(CCCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C20H25N3O3/c1-14-11-15(2)23(21-14)10-6-9-19(24)22-12-17(18(13-22)20(25)26)16-7-4-3-5-8-16/h3-5,7-8,11,17-18H,6,9-10,12-13H2,1-2H3,(H,25,26)/t17-,18+/m0/s1
InChIKeyRPGQGRWLAJBSSC-ZWKOTPCHSA-N
XLogP2.61
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid 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,4R)-1-[4-(2-methylimidazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70786394
(3R,4S)-1-(3-methylsulfanylpropanoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 133129117
methyl (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
CID 16667837
1-(3-benzoylpiperidin-1-yl)-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102602842
4-(3,5-dimethylpyrazol-1-yl)-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 110108127
4-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]butan-1-one
CID 96573982
(3S,4R)-4-pyridin-3-yl-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 70742989
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70757023
1-[(5aS,8aR)-4,5,5a,6,8,8a-hexahydro-1H-pyrrolo[3,4-g]indazol-7-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92603429
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 90649665

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid (CID 70749566) is (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid is Cc1cc(C)n(CCCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)n1.
What is the InChIKey of (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is RPGQGRWLAJBSSC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-11-15(2)23(21-14)10-6-9-19(24)22-12-17(18(13-22)20(25)26)16-7-4-3-5-8-16/h3-5,7-8,11,17-18H,6,9-10,12-13H2,1-2H3,(H,25,26)/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid?
(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 355.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70749566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).