[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol

C11H10BrClN2O — CID 115068526

IUPAC[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2cccc(Br)c2)c1Cl
InChIInChI=1S/C11H10BrClN2O/c12-10-3-1-2-8(4-10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7H2
InChIKeyHGVILTAWWVVSLO-UHFFFAOYSA-N
MW301.57 g/mol
LogP2.84
Rot. Bonds3

About [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol

[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol (PubChem CID 115068526) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
PubChem CID115068526
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2cccc(Br)c2)c1Cl
InChIInChI=1S/C11H10BrClN2O/c12-10-3-1-2-8(4-10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7H2
InChIKeyHGVILTAWWVVSLO-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523
1-[(3-bromophenyl)methyl]-4-(chloromethyl)-5-(difluoromethyl)pyrazole
CID 66437526
[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol
CID 63276258
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole
CID 66437746
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562
[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
CID 55170494
[1-[(3-bromophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methanamine
CID 66441405
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63276738
5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117232577
2-[(3-bromophenyl)methyl]-5-iodopyridazin-3-one
CID 114553473
2-[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 115068545

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol?
The IUPAC name of [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol (CID 115068526) is [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol?
The canonical SMILES for [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol is OCc1cnn(Cc2cccc(Br)c2)c1Cl.
What is the InChIKey of [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol?
The InChIKey is HGVILTAWWVVSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c12-10-3-1-2-8(4-10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7H2.
What are the key properties of [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol?
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol has a molecular weight of 301.57 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol is sourced from PubChem (CID 115068526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).