(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol

C15H25BrN2O2 — CID 114645902

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol
SMILESCCOC1(C(O)c2c(Br)cnn2C)CCC(C)(C)CC1
InChIInChI=1S/C15H25BrN2O2/c1-5-20-15(8-6-14(2,3)7-9-15)13(19)12-11(16)10-17-18(12)4/h10,13,19H,5-9H2,1-4H3
InChIKeyRILHAIXDAADPPE-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.59
Rot. Bonds4

About (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol (PubChem CID 114645902) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol
PubChem CID114645902
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol
SMILESCCOC1(C(O)c2c(Br)cnn2C)CCC(C)(C)CC1
InChIInChI=1S/C15H25BrN2O2/c1-5-20-15(8-6-14(2,3)7-9-15)13(19)12-11(16)10-17-18(12)4/h10,13,19H,5-9H2,1-4H3
InChIKeyRILHAIXDAADPPE-UHFFFAOYSA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114645869
(1,4-dimethylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 112742297
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 114645787
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645893
(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116755515
(4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 114644550
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
CID 116755399
(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 116755475
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645814

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol (CID 114645902) is (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol is CCOC1(C(O)c2c(Br)cnn2C)CCC(C)(C)CC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol?
The InChIKey is RILHAIXDAADPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-5-20-15(8-6-14(2,3)7-9-15)13(19)12-11(16)10-17-18(12)4/h10,13,19H,5-9H2,1-4H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol has a molecular weight of 345.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 114645902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).