(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol

C14H24N2O3S — CID 103572548

IUPAC(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H24N2O3S/c1-3-7-16-10-12(9-15-16)14(17)11-5-4-6-13(8-11)20(2,18)19/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyQJRLKHVKCJTQJU-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.93
Rot. Bonds5

About (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol

(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 103572548) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
PubChem CID103572548
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H24N2O3S/c1-3-7-16-10-12(9-15-16)14(17)11-5-4-6-13(8-11)20(2,18)19/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyQJRLKHVKCJTQJU-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107502764
(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 105114882
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
CID 80621601
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol (CID 103572548) is (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2CCCC(S(C)(=O)=O)C2)cn1.
What is the InChIKey of (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is QJRLKHVKCJTQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-7-16-10-12(9-15-16)14(17)11-5-4-6-13(8-11)20(2,18)19/h9-11,13-14,17H,3-8H2,1-2H3.
What are the key properties of (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol?
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol has a molecular weight of 300.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103572548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).