1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one

C14H22N2O — CID 103024333

IUPAC1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
SMILESCn1nccc1CCC(=O)CC1CCCCC1
InChIInChI=1S/C14H22N2O/c1-16-13(9-10-15-16)7-8-14(17)11-12-5-3-2-4-6-12/h9-10,12H,2-8,11H2,1H3
InChIKeyDZENAERNDLOOFS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds5

About 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one

1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one (PubChem CID 103024333) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
PubChem CID103024333
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
SMILESCn1nccc1CCC(=O)CC1CCCCC1
InChIInChI=1S/C14H22N2O/c1-16-13(9-10-15-16)7-8-14(17)11-12-5-3-2-4-6-12/h9-10,12H,2-8,11H2,1H3
InChIKeyDZENAERNDLOOFS-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-(1-methoxycyclobutyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103558995
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 103004893
1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007359
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-3-yl)propan-1-one
CID 103023936
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one
CID 103023956
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024286
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148
4-(2-methylpyrazol-3-yl)-1-(prop-2-enylamino)butan-2-one
CID 103023911
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one?
The IUPAC name of 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one (CID 103024333) is 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one is Cn1nccc1CCC(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one?
The InChIKey is DZENAERNDLOOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-13(9-10-15-16)7-8-14(17)11-12-5-3-2-4-6-12/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one?
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 103024333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).