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

C19H21N3O3 — CID 120952050

IUPAC(3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C(=O)O
InChIInChI=1S/C19H21N3O3/c1-12-10-21(11-15(12)19(24)25)18(23)17-14-8-5-9-16(14)22(20-17)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,24,25)/t12-,15-/m1/s1
InChIKeyODZUOOGCWFALTC-IUODEOHRSA-N
MW339.39 g/mol
LogP2.15
Rot. Bonds3

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

(3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120952050) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120952050
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C(=O)O
InChIInChI=1S/C19H21N3O3/c1-12-10-21(11-15(12)19(24)25)18(23)17-14-8-5-9-16(14)22(20-17)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,24,25)/t12-,15-/m1/s1
InChIKeyODZUOOGCWFALTC-IUODEOHRSA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-methylmorpholin-4-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 51448540
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120657503
(3-methylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119577575
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
[4-(methylamino)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119560961
(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 122120805
(4-aminopiperidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone;hydrochloride
CID 119373981
[3-(aminomethyl)pyrrolidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119484409
(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 16622795
(4-hydroxypiperidin-1-yl)-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 110895194
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120818647
2,2-dimethyl-1-[4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 55774855

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 120952050) is (3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid is C[C@@H]1CN(C(=O)c2nn(-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]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ODZUOOGCWFALTC-IUODEOHRSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-10-21(11-15(12)19(24)25)18(23)17-14-8-5-9-16(14)22(20-17)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,24,25)/t12-,15-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.15, 3 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]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120952050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).