cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

C14H19N3O3 — CID 122066333

IUPACcis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C14H19N3O3/c1-14(2)10(11(14)13(19)20)12(18)17-7-3-4-9(17)8-5-6-15-16-8/h5-6,9-11H,3-4,7H2,1-2H3,(H,15,16)(H,19,20)/t9?,10-,11+/m1/s1
InChIKeyBNGORPXUXAQEGS-ZOCYIJKUSA-N
MW277.32 g/mol
LogP1.43
Rot. Bonds3

About cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 122066333) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID122066333
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C14H19N3O3/c1-14(2)10(11(14)13(19)20)12(18)17-7-3-4-9(17)8-5-6-15-16-8/h5-6,9-11H,3-4,7H2,1-2H3,(H,15,16)(H,19,20)/t9?,10-,11+/m1/s1
InChIKeyBNGORPXUXAQEGS-ZOCYIJKUSA-N
XLogP1.43
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-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

[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95821620
3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 95821595
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 167886147
(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110259105
1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone
CID 99801050
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
cis-(1S,3R)-3-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066980

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 122066333) is cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)N1CCCC1c1ccn[nH]1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is BNGORPXUXAQEGS-ZOCYIJKUSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2)10(11(14)13(19)20)12(18)17-7-3-4-9(17)8-5-6-15-16-8/h5-6,9-11H,3-4,7H2,1-2H3,(H,15,16)(H,19,20)/t9?,10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122066333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).