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

C16H27ClN2O — CID 114633090

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCCCn1ncc(Cl)c1C1(O)CC(C)CCC1C(C)C
InChIInChI=1S/C16H27ClN2O/c1-5-8-19-15(14(17)10-18-19)16(20)9-12(4)6-7-13(16)11(2)3/h10-13,20H,5-9H2,1-4H3
InChIKeyMHUKJTVYVXWQPX-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.23
Rot. Bonds4

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

1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 114633090) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID114633090
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCCCn1ncc(Cl)c1C1(O)CC(C)CCC1C(C)C
InChIInChI=1S/C16H27ClN2O/c1-5-8-19-15(14(17)10-18-19)16(20)9-12(4)6-7-13(16)11(2)3/h10-13,20H,5-9H2,1-4H3
InChIKeyMHUKJTVYVXWQPX-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
CID 114637906
4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol
CID 114240715
1-(4-methoxy-1-propylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
CID 114636087
5-methyl-1-(2-methylpyrazol-3-yl)-2-propan-2-ylcyclohexan-1-ol
CID 63960927
(1S,2S,5R)-1-[6-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]-2-pyridinyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101183743
5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol
CID 63968166
CID 11151972
CID 11151972
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 114633223

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 114633090) is 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CCCn1ncc(Cl)c1C1(O)CC(C)CCC1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is MHUKJTVYVXWQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-5-8-19-15(14(17)10-18-19)16(20)9-12(4)6-7-13(16)11(2)3/h10-13,20H,5-9H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 298.86 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 114633090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).