4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

C16H13ClN2O2 — CID 662991

IUPAC4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-9-15(10-2-4-11(17)5-3-10)16(19-18-9)13-7-6-12(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)
InChIKeyUUKHMCQBTJVIKW-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.12
Rot. Bonds2

About 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 662991) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID662991
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-9-15(10-2-4-11(17)5-3-10)16(19-18-9)13-7-6-12(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)
InChIKeyUUKHMCQBTJVIKW-UHFFFAOYSA-N
XLogP4.12
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol (CID 662991) is 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol is Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is UUKHMCQBTJVIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9-15(10-2-4-11(17)5-3-10)16(19-18-9)13-7-6-12(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19).
What are the key properties of 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 300.75 g/mol, XLogP of 4.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 662991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).