1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone

C8H10N2O — CID 83872450

IUPAC1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
SMILESCC(=O)c1cn[nH]c1C1CC1
InChIInChI=1S/C8H10N2O/c1-5(11)7-4-9-10-8(7)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,10)
InChIKeyXLLXMDNAHDFVNH-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.49
Rot. Bonds2

About 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone

1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone (PubChem CID 83872450) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
PubChem CID83872450
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
SMILESCC(=O)c1cn[nH]c1C1CC1
InChIInChI=1S/C8H10N2O/c1-5(11)7-4-9-10-8(7)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,10)
InChIKeyXLLXMDNAHDFVNH-UHFFFAOYSA-N
XLogP1.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
CID 105448069
1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone
CID 166058214
(4-methylpiperazin-1-yl)-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone
CID 46278483
N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 167819842
5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide
CID 100695175
ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
CID 119055009
1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen
CID 142236647
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469
5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 70770435
5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 139007445
(5-cyclopropyl-1H-pyrazol-4-yl)-(3-prop-2-enylsulfinylphenyl)methanone
CID 66747730

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone (CID 83872450) is 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone is CC(=O)c1cn[nH]c1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone?
The InChIKey is XLLXMDNAHDFVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5(11)7-4-9-10-8(7)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,10).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone?
1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone has a molecular weight of 150.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 83872450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).