2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C15H21N3O2 — CID 79546267

IUPAC2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCc1[nH]ncc1C(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C15H21N3O2/c1-10-12(9-16-17-10)15(20)18-8-4-6-13(18)11-5-2-3-7-14(11)19/h9,11,13H,2-8H2,1H3,(H,16,17)
InChIKeyWLVOVRZMRKXAGU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds2

About 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79546267) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79546267
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCc1[nH]ncc1C(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C15H21N3O2/c1-10-12(9-16-17-10)15(20)18-8-4-6-13(18)11-5-2-3-7-14(11)19/h9,11,13H,2-8H2,1H3,(H,16,17)
InChIKeyWLVOVRZMRKXAGU-UHFFFAOYSA-N
XLogP2.08
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 62922896
2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one
CID 79538492
2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115969065
3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 106741554
2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476
2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114820809
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538771
2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 81445915
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115697992

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79546267) is 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is Cc1[nH]ncc1C(=O)N1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is WLVOVRZMRKXAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-12(9-16-17-10)15(20)18-8-4-6-13(18)11-5-2-3-7-14(11)19/h9,11,13H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 275.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79546267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).