3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one

C10H14N2O — CID 116538630

IUPAC3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one
SMILESCn1cc(C2(C)CCC(=O)C2)cn1
InChIInChI=1S/C10H14N2O/c1-10(4-3-9(13)5-10)8-6-11-12(2)7-8/h6-7H,3-5H2,1-2H3
InChIKeyUBRBEVFJIKLDTP-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.43
Rot. Bonds1

About 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one

3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one (PubChem CID 116538630) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one
PubChem CID116538630
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one
SMILESCn1cc(C2(C)CCC(=O)C2)cn1
InChIInChI=1S/C10H14N2O/c1-10(4-3-9(13)5-10)8-6-11-12(2)7-8/h6-7H,3-5H2,1-2H3
InChIKeyUBRBEVFJIKLDTP-UHFFFAOYSA-N
XLogP1.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one
CID 116538540
3-methyl-3-pyrimidin-5-ylcyclopentan-1-one
CID 116538385
3-methyl-3-pyrazin-2-ylcyclopentan-1-one
CID 116538563
(5R)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 96581780
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
(5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one
CID 170741326
3-methyl-3-naphthalen-2-ylcyclopentan-1-one
CID 116538503
2,2-dimethyl-1-(1-methylpyrazol-4-yl)cyclopentan-1-ol
CID 79863791
[1-(1-methylpyrazol-4-yl)cyclopropyl]methanamine
CID 82594919
3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
CID 114520131
3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 154737485
cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
CID 126714934

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one?
The IUPAC name of 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one (CID 116538630) is 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one is Cn1cc(C2(C)CCC(=O)C2)cn1.
What is the InChIKey of 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one?
The InChIKey is UBRBEVFJIKLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(4-3-9(13)5-10)8-6-11-12(2)7-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one?
3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one has a molecular weight of 178.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one is sourced from PubChem (CID 116538630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).