(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide

C15H22N4O3 — CID 128983763

IUPAC(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C15H22N4O3/c1-22-11-8-13(14(16)20)18(9-11)15(21)12-6-7-19(17-12)10-4-2-3-5-10/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,20)/t11-,13-/m0/s1
InChIKeyRXVHUVQPEXHJKI-AAEUAGOBSA-N
MW306.37 g/mol
LogP0.71
Rot. Bonds4

About (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128983763) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID128983763
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C15H22N4O3/c1-22-11-8-13(14(16)20)18(9-11)15(21)12-6-7-19(17-12)10-4-2-3-5-10/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,20)/t11-,13-/m0/s1
InChIKeyRXVHUVQPEXHJKI-AAEUAGOBSA-N
XLogP0.71
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 122132866
(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983796
(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983700
(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 128984241
(2S,4S)-1-(3-bromo-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128984131
1-cyclopropylpyrazole-3-carboxamide
CID 129189141
(2S,4S)-1-(5-bromopyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983596
(2S,3aS,7aS)-1-(1-cyclopentylpyrazole-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124701207
(2S,4S)-1-(2-chloro-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983598
(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983612
(2S,4S)-4-methoxy-1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]pyrrolidine-2-carboxamide
CID 128983730
(1-cyclopentylpyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023312

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide (CID 128983763) is (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccn(C3CCCC3)n2)C1.
What is the InChIKey of (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is RXVHUVQPEXHJKI-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-22-11-8-13(14(16)20)18(9-11)15(21)12-6-7-19(17-12)10-4-2-3-5-10/h6-7,10-11,13H,2-5,8-9H2,1H3,(H2,16,20)/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128983763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).