(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C19H23N3O2 — CID 122120805

IUPAC(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C(=O)O
InChIInChI=1S/C19H23N3O2/c1-13-10-21(11-16(13)19(23)24)12-17-15-8-5-9-18(15)22(20-17)14-6-3-2-4-7-14/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,23,24)/t13-,16-/m1/s1
InChIKeyIMNUZXSAXMWSEV-CZUORRHYSA-N
MW325.41 g/mol
LogP2.51
Rot. Bonds4

About (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 122120805) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID122120805
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C(=O)O
InChIInChI=1S/C19H23N3O2/c1-13-10-21(11-16(13)19(23)24)12-17-15-8-5-9-18(15)22(20-17)14-6-3-2-4-7-14/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,23,24)/t13-,16-/m1/s1
InChIKeyIMNUZXSAXMWSEV-CZUORRHYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-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

1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 119904476
(3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952050
3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 14576151
N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 49230064
3-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 75395875
3-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 97330844
3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 56528673
[(2S)-2-methylmorpholin-4-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 51448540
3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 102460361
3-(5-methylfuran-2-yl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]prop-2-enamide
CID 91942509
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide
CID 126780198

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 122120805) is (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is C[C@@H]1CN(Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IMNUZXSAXMWSEV-CZUORRHYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-10-21(11-16(13)19(23)24)12-17-15-8-5-9-18(15)22(20-17)14-6-3-2-4-7-14/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,23,24)/t13-,16-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122120805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).