(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone

C14H22N2O — CID 105104856

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
SMILESCCc1cc(C(=O)C2CCC(C)CC2)n(C)n1
InChIInChI=1S/C14H22N2O/c1-4-12-9-13(16(3)15-12)14(17)11-7-5-10(2)6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyLLRVNILPIBXRTM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.99
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone

(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone (PubChem CID 105104856) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
PubChem CID105104856
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
SMILESCCc1cc(C(=O)C2CCC(C)CC2)n(C)n1
InChIInChI=1S/C14H22N2O/c1-4-12-9-13(16(3)15-12)14(17)11-7-5-10(2)6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyLLRVNILPIBXRTM-UHFFFAOYSA-N
XLogP2.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 66120116
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
N-(2-bromo-2-cyclopropylethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114315903
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
1-(3-ethyl-1-methylpyrazol-5-yl)octan-1-one
CID 105086496
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone (CID 105104856) is (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone is CCc1cc(C(=O)C2CCC(C)CC2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone?
The InChIKey is LLRVNILPIBXRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-9-13(16(3)15-12)14(17)11-7-5-10(2)6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone?
(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone has a molecular weight of 234.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 105104856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).