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

C12H17ClN2O — CID 106829728

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(C)CCCCC1
InChIInChI=1S/C12H17ClN2O/c1-12(6-4-3-5-7-12)11(16)10-9(13)8-14-15(10)2/h8H,3-7H2,1-2H3
InChIKeyUIQZDEDVXYTAHL-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.23
Rot. Bonds2

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

(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone (PubChem CID 106829728) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
PubChem CID106829728
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(C)CCCCC1
InChIInChI=1S/C12H17ClN2O/c1-12(6-4-3-5-7-12)11(16)10-9(13)8-14-15(10)2/h8H,3-7H2,1-2H3
InChIKeyUIQZDEDVXYTAHL-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669176
(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
CID 114641258
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
CID 114671308
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
CID 114640025
1-(4-chloro-1-methylpyrazol-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114669462
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 114642790
4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide
CID 77095105

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone (CID 106829728) is (4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone is Cn1ncc(Cl)c1C(=O)C1(C)CCCCC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone?
The InChIKey is UIQZDEDVXYTAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(6-4-3-5-7-12)11(16)10-9(13)8-14-15(10)2/h8H,3-7H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone has a molecular weight of 240.73 g/mol, XLogP of 3.23, 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)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).