(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone

C13H19ClN2O — CID 114640760

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2c(Cl)cnn2C)C1
InChIInChI=1S/C13H19ClN2O/c1-3-9-5-4-6-10(7-9)13(17)12-11(14)8-15-16(12)2/h8-10H,3-7H2,1-2H3
InChIKeyMFRCEUJQBNSEGU-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.47
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone (PubChem CID 114640760) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
PubChem CID114640760
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2c(Cl)cnn2C)C1
InChIInChI=1S/C13H19ClN2O/c1-3-9-5-4-6-10(7-9)13(17)12-11(14)8-15-16(12)2/h8-10H,3-7H2,1-2H3
InChIKeyMFRCEUJQBNSEGU-UHFFFAOYSA-N
XLogP3.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640787
(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669155
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
CID 114640590
(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640768
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640692

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone (CID 114640760) is (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)c2c(Cl)cnn2C)C1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone?
The InChIKey is MFRCEUJQBNSEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-9-5-4-6-10(7-9)13(17)12-11(14)8-15-16(12)2/h8-10H,3-7H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone has a molecular weight of 254.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 114640760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).