[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol

C12H14BrN3O — CID 66437474

IUPAC[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol
SMILESCC(C)c1c(CO)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C12H14BrN3O/c1-8(2)12-9(7-17)5-15-16(12)11-4-3-10(13)6-14-11/h3-6,8,17H,7H2,1-2H3
InChIKeyKHTZZTBVYSZVFC-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.65
Rot. Bonds3

About [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol

[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol (PubChem CID 66437474) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol
PubChem CID66437474
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol
SMILESCC(C)c1c(CO)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C12H14BrN3O/c1-8(2)12-9(7-17)5-15-16(12)11-4-3-10(13)6-14-11/h3-6,8,17H,7H2,1-2H3
InChIKeyKHTZZTBVYSZVFC-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-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

N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66440209
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440011
[1-(5-bromo-2-pyridinyl)-5-ethylpyrazol-4-yl]methanol
CID 66437696
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 65347734
4-(bromomethyl)-1-(4-bromophenyl)-5-propan-2-ylpyrazole
CID 66436646
5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66439480
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437016
[1-(2,4-difluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66436355
[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
CID 79200265
1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66441573
1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66442611
[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437452

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol (CID 66437474) is [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol is CC(C)c1c(CO)cnn1-c1ccc(Br)cn1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol?
The InChIKey is KHTZZTBVYSZVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-8(2)12-9(7-17)5-15-16(12)11-4-3-10(13)6-14-11/h3-6,8,17H,7H2,1-2H3.
What are the key properties of [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol?
[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol has a molecular weight of 296.17 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 66437474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).