1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one

C14H22N2O — CID 103007553

IUPAC1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)C2CCCCCC2)cn1
InChIInChI=1S/C14H22N2O/c1-16-11-12(10-15-16)8-9-14(17)13-6-4-2-3-5-7-13/h10-11,13H,2-9H2,1H3
InChIKeyIVZMKICQWNQXBM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds4

About 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one

1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103007553) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103007553
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)C2CCCCCC2)cn1
InChIInChI=1S/C14H22N2O/c1-16-11-12(10-15-16)8-9-14(17)13-6-4-2-3-5-7-13/h10-11,13H,2-9H2,1H3
InChIKeyIVZMKICQWNQXBM-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
CID 103023696
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103455845
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
2-cyclopentyl-2-methoxycarbonyl-4-(1-methylpyrazol-4-yl)butanoic acid
CID 103023327
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131917065
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
1-[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95633128
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
4-amino-1-(1-methylpyrazol-4-yl)hept-6-yn-3-one
CID 103024086
1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 156840377

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103007553) is 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)C2CCCCCC2)cn1.
What is the InChIKey of 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is IVZMKICQWNQXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-11-12(10-15-16)8-9-14(17)13-6-4-2-3-5-7-13/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one?
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103007553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).