2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one

C11H16N2O — CID 82870749

IUPAC2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
SMILESCC1C(=O)CCC1Cc1ccn(C)n1
InChIInChI=1S/C11H16N2O/c1-8-9(3-4-11(8)14)7-10-5-6-13(2)12-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyHYNVEZKGBCDAJC-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.58
Rot. Bonds2

About 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one

2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one (PubChem CID 82870749) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
PubChem CID82870749
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
SMILESCC1C(=O)CCC1Cc1ccn(C)n1
InChIInChI=1S/C11H16N2O/c1-8-9(3-4-11(8)14)7-10-5-6-13(2)12-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyHYNVEZKGBCDAJC-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82869773
4-ethyl-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 82870270
3-[(2-chlorocycloheptyl)methyl]-1-methylpyrazole
CID 82876103
4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82881615
3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one
CID 104679143
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine
CID 82882248
8-[(1-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 82874575
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-one
CID 64906761
5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one
CID 82870642
3-[(4-bromo-5,5-dimethyloxolan-3-yl)methyl]-1-methylpyrazole
CID 130961608
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82870145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one (CID 82870749) is 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one is CC1C(=O)CCC1Cc1ccn(C)n1.
What is the InChIKey of 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is HYNVEZKGBCDAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-9(3-4-11(8)14)7-10-5-6-13(2)12-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one?
2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 82870749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).