(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol

C16H28N2O2 — CID 114643994

IUPAC(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCCC1CCC(C(O)c2c(OC)cnn2C(C)C)CC1
InChIInChI=1S/C16H28N2O2/c1-5-12-6-8-13(9-7-12)16(19)15-14(20-4)10-17-18(15)11(2)3/h10-13,16,19H,5-9H2,1-4H3
InChIKeyBVZDVTZWQAXEQZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.72
Rot. Bonds5

About (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol

(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol (PubChem CID 114643994) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
PubChem CID114643994
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCCC1CCC(C(O)c2c(OC)cnn2C(C)C)CC1
InChIInChI=1S/C16H28N2O2/c1-5-12-6-8-13(9-7-12)16(19)15-14(20-4)10-17-18(15)11(2)3/h10-13,16,19H,5-9H2,1-4H3
InChIKeyBVZDVTZWQAXEQZ-UHFFFAOYSA-N
XLogP3.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 115837387
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
CID 114644083
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
(4-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114655202
(3-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644051
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
CID 115835410
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114661294
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114643665
2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769
N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 114661336
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The IUPAC name of (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol (CID 114643994) is (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The canonical SMILES for (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol is CCC1CCC(C(O)c2c(OC)cnn2C(C)C)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The InChIKey is BVZDVTZWQAXEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-12-6-8-13(9-7-12)16(19)15-14(20-4)10-17-18(15)11(2)3/h10-13,16,19H,5-9H2,1-4H3.
What are the key properties of (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol has a molecular weight of 280.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol is sourced from PubChem (CID 114643994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).