1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol

C14H25BrN2O — CID 115835053

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1c(Br)cnn1CCC
InChIInChI=1S/C14H25BrN2O/c1-4-7-8-11(6-3)14(18)13-12(15)10-16-17(13)9-5-2/h10-11,14,18H,4-9H2,1-3H3
InChIKeyLKVOQCQOFCRGBU-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.31
Rot. Bonds8

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol

1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol (PubChem CID 115835053) has the molecular formula C14H25BrN2O and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol
PubChem CID115835053
Molecular FormulaC14H25BrN2O
Molecular Weight317.27 g/mol
Exact Mass316.12
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1c(Br)cnn1CCC
InChIInChI=1S/C14H25BrN2O/c1-4-7-8-11(6-3)14(18)13-12(15)10-16-17(13)9-5-2/h10-11,14,18H,4-9H2,1-3H3
InChIKeyLKVOQCQOFCRGBU-UHFFFAOYSA-N
XLogP4.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
CID 105041007
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645968
3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667939
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethyl-2-methoxybutan-1-ol
CID 114645774
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105336590
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol (CID 115835053) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol is CCCCC(CC)C(O)c1c(Br)cnn1CCC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol?
The InChIKey is LKVOQCQOFCRGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O/c1-4-7-8-11(6-3)14(18)13-12(15)10-16-17(13)9-5-2/h10-11,14,18H,4-9H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol?
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol has a molecular weight of 317.27 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol is sourced from PubChem (CID 115835053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).