(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone

C15H23ClN2O — CID 114640751

IUPAC(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)11-7-5-10(6-8-11)14(19)13-12(16)9-17-18(13)4/h9-11H,5-8H2,1-4H3
InChIKeyQKBIZEZUZXFLSL-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.11
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone

(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone (PubChem CID 114640751) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
PubChem CID114640751
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)11-7-5-10(6-8-11)14(19)13-12(16)9-17-18(13)4/h9-11H,5-8H2,1-4H3
InChIKeyQKBIZEZUZXFLSL-UHFFFAOYSA-N
XLogP4.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)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)-(4-methylcyclohexyl)methanone
CID 114639668
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668630
(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
CID 114640590
(1,4-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 112742472
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
CID 65400880
tert-butyl 3-(4-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-1-carboxylate
CID 107092100
cyclopropyl-(4-cyclopropyl-1-methylpyrazol-5-yl)methanone
CID 164644891
(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone
CID 115809395
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone (CID 114640751) is (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone is Cn1ncc(Cl)c1C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The InChIKey is QKBIZEZUZXFLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,3)11-7-5-10(6-8-11)14(19)13-12(16)9-17-18(13)4/h9-11H,5-8H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone has a molecular weight of 282.81 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114640751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).