(3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

C17H23N3O3 — CID 120978536

IUPAC(3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C17H23N3O3/c21-16(15-7-8-18-20(15)12-3-1-2-4-12)19-9-13(11-5-6-11)14(10-19)17(22)23/h7-8,11-14H,1-6,9-10H2,(H,22,23)/t13-,14+/m1/s1
InChIKeyCEYNPGTYHQJLKB-KGLIPLIRSA-N
MW317.39 g/mol
LogP2.18
Rot. Bonds4

About (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 120978536) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID120978536
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C17H23N3O3/c21-16(15-7-8-18-20(15)12-3-1-2-4-12)19-9-13(11-5-6-11)14(10-19)17(22)23/h7-8,11-14H,1-6,9-10H2,(H,22,23)/t13-,14+/m1/s1
InChIKeyCEYNPGTYHQJLKB-KGLIPLIRSA-N
XLogP2.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 120978536) is (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is CEYNPGTYHQJLKB-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(15-7-8-18-20(15)12-3-1-2-4-12)19-9-13(11-5-6-11)14(10-19)17(22)23/h7-8,11-14H,1-6,9-10H2,(H,22,23)/t13-,14+/m1/s1.
What are the key properties of (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).