[3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol

C10H8BrClN2O — CID 91903038

IUPAC[3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]nc(-c2ccccc2Br)c1Cl
InChIInChI=1S/C10H8BrClN2O/c11-7-4-2-1-3-6(7)10-9(12)8(5-15)13-14-10/h1-4,15H,5H2,(H,13,14)
InChIKeySIWAVUAPAHTCPY-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.98
Rot. Bonds2

About [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol

[3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol (PubChem CID 91903038) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol
PubChem CID91903038
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name[3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]nc(-c2ccccc2Br)c1Cl
InChIInChI=1S/C10H8BrClN2O/c11-7-4-2-1-3-6(7)10-9(12)8(5-15)13-14-10/h1-4,15H,5H2,(H,13,14)
InChIKeySIWAVUAPAHTCPY-UHFFFAOYSA-N
XLogP2.98
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol (CID 91903038) is [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol is OCc1[nH]nc(-c2ccccc2Br)c1Cl.
What is the InChIKey of [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol?
The InChIKey is SIWAVUAPAHTCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c11-7-4-2-1-3-6(7)10-9(12)8(5-15)13-14-10/h1-4,15H,5H2,(H,13,14).
What are the key properties of [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol?
[3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol has a molecular weight of 287.54 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromophenyl)-4-chloro-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 91903038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).