(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone

C13H20ClN3O — CID 114641258

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)c2c(Cl)cnn2C)CCCCC1
InChIInChI=1S/C13H20ClN3O/c1-16(2)13(7-5-4-6-8-13)12(18)11-10(14)9-15-17(11)3/h9H,4-8H2,1-3H3
InChIKeyFMRBSHYQPWNVBO-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.52
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone (PubChem CID 114641258) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
PubChem CID114641258
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)c2c(Cl)cnn2C)CCCCC1
InChIInChI=1S/C13H20ClN3O/c1-16(2)13(7-5-4-6-8-13)12(18)11-10(14)9-15-17(11)3/h9H,4-8H2,1-3H3
InChIKeyFMRBSHYQPWNVBO-UHFFFAOYSA-N
XLogP2.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]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-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
CID 114671308
(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669176
[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
CID 79066934
(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-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-(dimethylamino)cyclohexyl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone (CID 114641258) is (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone is CN(C)C1(C(=O)c2c(Cl)cnn2C)CCCCC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone?
The InChIKey is FMRBSHYQPWNVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-16(2)13(7-5-4-6-8-13)12(18)11-10(14)9-15-17(11)3/h9H,4-8H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone has a molecular weight of 269.78 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone is sourced from PubChem (CID 114641258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).