(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol

C16H27BrN2O2 — CID 114645869

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1(OCC)CCC(C)CC1
InChIInChI=1S/C16H27BrN2O2/c1-4-10-19-14(13(17)11-18-19)15(20)16(21-5-2)8-6-12(3)7-9-16/h11-12,15,20H,4-10H2,1-3H3
InChIKeyZQOWTRYPEJZUJK-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.07
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol (PubChem CID 114645869) has the molecular formula C16H27BrN2O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
PubChem CID114645869
Molecular FormulaC16H27BrN2O2
Molecular Weight359.31 g/mol
Exact Mass358.13
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1(OCC)CCC(C)CC1
InChIInChI=1S/C16H27BrN2O2/c1-4-10-19-14(13(17)11-18-19)15(20)16(21-5-2)8-6-12(3)7-9-16/h11-12,15,20H,4-10H2,1-3H3
InChIKeyZQOWTRYPEJZUJK-UHFFFAOYSA-N
XLogP4.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645893
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol
CID 114645902
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645814
(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine
CID 114661903
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 114645787
(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686834
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 114661932

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol (CID 114645869) is (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol is CCCn1ncc(Br)c1C(O)C1(OCC)CCC(C)CC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol?
The InChIKey is ZQOWTRYPEJZUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2/c1-4-10-19-14(13(17)11-18-19)15(20)16(21-5-2)8-6-12(3)7-9-16/h11-12,15,20H,4-10H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol has a molecular weight of 359.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol is sourced from PubChem (CID 114645869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).