(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone

C10H6Cl2N2O2 — CID 8834760

IUPAC(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H6Cl2N2O2/c11-6-1-7(10(16)8(12)2-6)9(15)5-3-13-14-4-5/h1-4,16H,(H,13,14)
InChIKeyVXLRRJWEOSPDMN-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.65
Rot. Bonds2

About (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone

(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone (PubChem CID 8834760) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
PubChem CID8834760
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H6Cl2N2O2/c11-6-1-7(10(16)8(12)2-6)9(15)5-3-13-14-4-5/h1-4,16H,(H,13,14)
InChIKeyVXLRRJWEOSPDMN-UHFFFAOYSA-N
XLogP2.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone (CID 8834760) is (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is VXLRRJWEOSPDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-6-1-7(10(16)8(12)2-6)9(15)5-3-13-14-4-5/h1-4,16H,(H,13,14).
What are the key properties of (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone?
(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 257.08 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 8834760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).