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

C15H18BrClN2O — CID 63276258

IUPAC[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol
SMILESCC(C)(C)c1nn(Cc2cccc(Br)c2)c(Cl)c1CO
InChIInChI=1S/C15H18BrClN2O/c1-15(2,3)13-12(9-20)14(17)19(18-13)8-10-5-4-6-11(16)7-10/h4-7,20H,8-9H2,1-3H3
InChIKeyISLUVQPIXALQKF-UHFFFAOYSA-N
MW357.68 g/mol
LogP4.14
Rot. Bonds3

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

[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol (PubChem CID 63276258) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol
PubChem CID63276258
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC Name[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol
SMILESCC(C)(C)c1nn(Cc2cccc(Br)c2)c(Cl)c1CO
InChIInChI=1S/C15H18BrClN2O/c1-15(2,3)13-12(9-20)14(17)19(18-13)8-10-5-4-6-11(16)7-10/h4-7,20H,8-9H2,1-3H3
InChIKeyISLUVQPIXALQKF-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
CID 55170494
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 43333641
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63276738
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 63788260
1-[(3-bromophenyl)methyl]-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 55187475
1-[(3-bromophenyl)methyl]-3-tert-butylpyrazole-5-carboxylic acid
CID 162420913
(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
CID 43333639
1-[(3-bromophenyl)methyl]-5-chloro-3-propan-2-ylpyrazole-4-carbonitrile
CID 63787909
2-[1-[(3-bromophenyl)methyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-yl]propan-2-ol
CID 140753812
1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66016696
1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647688

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol?
The IUPAC name of [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol (CID 63276258) is [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol?
The canonical SMILES for [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol is CC(C)(C)c1nn(Cc2cccc(Br)c2)c(Cl)c1CO.
What is the InChIKey of [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol?
The InChIKey is ISLUVQPIXALQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O/c1-15(2,3)13-12(9-20)14(17)19(18-13)8-10-5-4-6-11(16)7-10/h4-7,20H,8-9H2,1-3H3.
What are the key properties of [1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol?
[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol has a molecular weight of 357.68 g/mol, XLogP of 4.14, 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]-3-tert-butyl-5-chloropyrazol-4-yl]methanol is sourced from PubChem (CID 63276258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).