1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one

C11H16N2O — CID 118673383

IUPAC1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccn(CC2CC2)n1
InChIInChI=1S/C11H16N2O/c1-8(2)11(14)10-5-6-13(12-10)7-9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyMWTIGQGTGATCME-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one

1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one (PubChem CID 118673383) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one
PubChem CID118673383
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccn(CC2CC2)n1
InChIInChI=1S/C11H16N2O/c1-8(2)11(14)10-5-6-13(12-10)7-9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyMWTIGQGTGATCME-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)pyrazole-3-carboxylic acid
CID 65459676
2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propan-1-one
CID 118673377
1-(1-butylpyrazol-3-yl)-2-methylpropan-1-one
CID 178017881
1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
CID 134394459
1-(cyclohexylmethyl)pyrazole-3-carboxamide
CID 173124048
1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 118365559
ethyl 1-(oxan-4-ylmethyl)pyrazole-3-carboxylate
CID 67227127
(4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone
CID 123957601
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
tert-butyl 4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394709
ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate
CID 178070198
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide
CID 155688305

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one (CID 118673383) is 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one is CC(C)C(=O)c1ccn(CC2CC2)n1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one?
The InChIKey is MWTIGQGTGATCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)11(14)10-5-6-13(12-10)7-9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one?
1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 118673383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).