1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol

C13H21ClN2O — CID 114633841

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2c(Cl)cnn2C)CC1
InChIInChI=1S/C13H21ClN2O/c1-9(2)10-4-6-13(17,7-5-10)12-11(14)8-15-16(12)3/h8-10,17H,4-7H2,1-3H3
InChIKeyVMNSDUMIBZGJSZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.11
Rot. Bonds2

About 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 114633841) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID114633841
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2c(Cl)cnn2C)CC1
InChIInChI=1S/C13H21ClN2O/c1-9(2)10-4-6-13(17,7-5-10)12-11(14)8-15-16(12)3/h8-10,17H,4-7H2,1-3H3
InChIKeyVMNSDUMIBZGJSZ-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
CID 114636259
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103564145
1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114636111
4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635799
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
4-chloro-5-(3-chloro-1-methylcyclopentyl)-1-methylpyrazole
CID 114665719
4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine
CID 114667623
1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol
CID 114633240
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylthian-3-ol
CID 114636867
1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452342
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol (CID 114633841) is 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(c2c(Cl)cnn2C)CC1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is VMNSDUMIBZGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9(2)10-4-6-13(17,7-5-10)12-11(14)8-15-16(12)3/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 256.78 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 114633841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).