(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone

C14H21ClN2O — CID 114640740

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C14H21ClN2O/c1-9(2)10-4-6-11(7-5-10)14(18)13-12(15)8-16-17(13)3/h8-11H,4-7H2,1-3H3
InChIKeyCKHWJZLADOMYDO-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.72
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone (PubChem CID 114640740) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
PubChem CID114640740
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C14H21ClN2O/c1-9(2)10-4-6-11(7-5-10)14(18)13-12(15)8-16-17(13)3/h8-11H,4-7H2,1-3H3
InChIKeyCKHWJZLADOMYDO-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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)-(oxolan-3-yl)methanone
CID 114640590
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
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
tert-butyl 3-(4-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-1-carboxylate
CID 107092100
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
CID 114640773
(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 114640238
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone (CID 114640740) is (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone is CC(C)C1CCC(C(=O)c2c(Cl)cnn2C)CC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone?
The InChIKey is CKHWJZLADOMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)10-4-6-11(7-5-10)14(18)13-12(15)8-16-17(13)3/h8-11H,4-7H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone has a molecular weight of 268.79 g/mol, XLogP of 3.72, 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)-(4-propan-2-ylcyclohexyl)methanone is sourced from PubChem (CID 114640740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).