1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one

C11H16N2O2 — CID 103455845

IUPAC1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
SMILESCn1cc(CCC(=O)C(O)C2CC2)cn1
InChIInChI=1S/C11H16N2O2/c1-13-7-8(6-12-13)2-5-10(14)11(15)9-3-4-9/h6-7,9,11,15H,2-5H2,1H3
InChIKeyBAOCVKXDNNJBAS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds5

About 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one

1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one (PubChem CID 103455845) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
PubChem CID103455845
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
SMILESCn1cc(CCC(=O)C(O)C2CC2)cn1
InChIInChI=1S/C11H16N2O2/c1-13-7-8(6-12-13)2-5-10(14)11(15)9-3-4-9/h6-7,9,11,15H,2-5H2,1H3
InChIKeyBAOCVKXDNNJBAS-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62126204
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CID 103024109
4-(aminomethyl)-5-methyl-1-(1-methylpyrazol-4-yl)hexan-3-one
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4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
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5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023663
4-amino-1-(1-methylpyrazol-4-yl)hept-6-yn-3-one
CID 103024086
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
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CID 103023542

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one?
The IUPAC name of 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one (CID 103455845) is 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one?
The canonical SMILES for 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one is Cn1cc(CCC(=O)C(O)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one?
The InChIKey is BAOCVKXDNNJBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-7-8(6-12-13)2-5-10(14)11(15)9-3-4-9/h6-7,9,11,15H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one?
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one is sourced from PubChem (CID 103455845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).