(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

C16H24N4O2 — CID 92633358

IUPAC(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CC[C@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H24N4O2/c1-11-14(10-19(2)18-11)16(22)20-8-7-12(9-20)15(21)17-13-5-3-4-6-13/h10,12-13H,3-9H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyIHXRICACRZOMHN-LBPRGKRZSA-N
MW304.39 g/mol
LogP1.25
Rot. Bonds3

About (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 92633358) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID92633358
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CC[C@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H24N4O2/c1-11-14(10-19(2)18-11)16(22)20-8-7-12(9-20)15(21)17-13-5-3-4-6-13/h10,12-13H,3-9H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyIHXRICACRZOMHN-LBPRGKRZSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(bromomethyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802318
(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102801015
(4-chloro-3-methylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802438
N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249134
1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide
CID 73440376
N-cycloheptyl-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805314
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 155998395
(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
CID 102801020
(3R)-N-cyclopentyl-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92635367
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473052
(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125024551

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (CID 92633358) is (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is Cc1nn(C)cc1C(=O)N1CC[C@H](C(=O)NC2CCCC2)C1.
What is the InChIKey of (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is IHXRICACRZOMHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-14(10-19(2)18-11)16(22)20-8-7-12(9-20)15(21)17-13-5-3-4-6-13/h10,12-13H,3-9H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92633358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).