(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone

C12H17ClN2O — CID 114639668

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C12H17ClN2O/c1-8-3-5-9(6-4-8)12(16)11-10(13)7-14-15(11)2/h7-9H,3-6H2,1-2H3
InChIKeyMDNAGHLXHOFUJW-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.08
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone (PubChem CID 114639668) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
PubChem CID114639668
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C12H17ClN2O/c1-8-3-5-9(6-4-8)12(16)11-10(13)7-14-15(11)2/h7-9H,3-6H2,1-2H3
InChIKeyMDNAGHLXHOFUJW-UHFFFAOYSA-N
XLogP3.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
CID 114640590
(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone
CID 115809395
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
CID 114640773
cyclopropyl-(4-cyclopropyl-1-methylpyrazol-5-yl)methanone
CID 164644891
(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-methylpyrazole-5-carboxylic acid
CID 670823
tert-butyl 3-(4-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-1-carboxylate
CID 107092100
(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 114640238

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone (CID 114639668) is (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)c2c(Cl)cnn2C)CC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone?
The InChIKey is MDNAGHLXHOFUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-3-5-9(6-4-8)12(16)11-10(13)7-14-15(11)2/h7-9H,3-6H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone has a molecular weight of 240.73 g/mol, XLogP of 3.08, 2 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)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 114639668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).