(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol

C17H29BrN2O — CID 115835410

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
SMILESCCCCC1CCC(C(O)c2c(Br)cnn2C(C)C)CC1
InChIInChI=1S/C17H29BrN2O/c1-4-5-6-13-7-9-14(10-8-13)17(21)16-15(18)11-19-20(16)12(2)3/h11-14,17,21H,4-10H2,1-3H3
InChIKeyXZRRMCFPHVCIJL-UHFFFAOYSA-N
MW357.34 g/mol
LogP5.26
Rot. Bonds6

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol (PubChem CID 115835410) has the molecular formula C17H29BrN2O and a molecular weight of 357.34 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
PubChem CID115835410
Molecular FormulaC17H29BrN2O
Molecular Weight357.34 g/mol
Exact Mass356.15
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
SMILESCCCCC1CCC(C(O)c2c(Br)cnn2C(C)C)CC1
InChIInChI=1S/C17H29BrN2O/c1-4-5-6-13-7-9-14(10-8-13)17(21)16-15(18)11-19-20(16)12(2)3/h11-14,17,21H,4-10H2,1-3H3
InChIKeyXZRRMCFPHVCIJL-UHFFFAOYSA-N
XLogP5.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 115835341
(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine
CID 105041317
(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643994
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
CID 114644083
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 114649226
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547630

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol (CID 115835410) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol is CCCCC1CCC(C(O)c2c(Br)cnn2C(C)C)CC1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol?
The InChIKey is XZRRMCFPHVCIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2O/c1-4-5-6-13-7-9-14(10-8-13)17(21)16-15(18)11-19-20(16)12(2)3/h11-14,17,21H,4-10H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol has a molecular weight of 357.34 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol is sourced from PubChem (CID 115835410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).