(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol

C16H27ClN2O — CID 114644031

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
SMILESCCCC1CCC(C(O)c2c(Cl)cnn2CCC)CC1
InChIInChI=1S/C16H27ClN2O/c1-3-5-12-6-8-13(9-7-12)16(20)15-14(17)11-18-19(15)10-4-2/h11-13,16,20H,3-10H2,1-2H3
InChIKeyUYERYMDFSCMOEC-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.59
Rot. Bonds6

About (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol (PubChem CID 114644031) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
PubChem CID114644031
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
SMILESCCCC1CCC(C(O)c2c(Cl)cnn2CCC)CC1
InChIInChI=1S/C16H27ClN2O/c1-3-5-12-6-8-13(9-7-12)16(20)15-14(17)11-18-19(15)10-4-2/h11-13,16,20H,3-10H2,1-2H3
InChIKeyUYERYMDFSCMOEC-UHFFFAOYSA-N
XLogP4.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 114661347

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol (CID 114644031) is (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol is CCCC1CCC(C(O)c2c(Cl)cnn2CCC)CC1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol?
The InChIKey is UYERYMDFSCMOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-3-5-12-6-8-13(9-7-12)16(20)15-14(17)11-18-19(15)10-4-2/h11-13,16,20H,3-10H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol has a molecular weight of 298.86 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol is sourced from PubChem (CID 114644031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).