4-(3-chlorophenyl)-5-methylpyrazol-3-one

C10H7ClN2O — CID 23330088

IUPAC4-(3-chlorophenyl)-5-methylpyrazol-3-one
SMILESCC1=C(c2cccc(Cl)c2)C(=O)N=N1
InChIInChI=1S/C10H7ClN2O/c1-6-9(10(14)13-12-6)7-3-2-4-8(11)5-7/h2-5H,1H3
InChIKeyHQQYFTLMVJTCDN-UHFFFAOYSA-N
MW206.63 g/mol
LogP3.06
Rot. Bonds1

About 4-(3-chlorophenyl)-5-methylpyrazol-3-one

4-(3-chlorophenyl)-5-methylpyrazol-3-one (PubChem CID 23330088) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-methylpyrazol-3-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-methylpyrazol-3-one
PubChem CID23330088
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name4-(3-chlorophenyl)-5-methylpyrazol-3-one
SMILESCC1=C(c2cccc(Cl)c2)C(=O)N=N1
InChIInChI=1S/C10H7ClN2O/c1-6-9(10(14)13-12-6)7-3-2-4-8(11)5-7/h2-5H,1H3
InChIKeyHQQYFTLMVJTCDN-UHFFFAOYSA-N
XLogP3.06
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-amino-4-(3-chlorophenyl)-2-ethylthiophen-3-one
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4-(3-chlorophenyl)-5-methyl-3H-pyrrole
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CID 43542636
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CID 117260709
2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
CID 123522555
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CID 143147725
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CID 123907748
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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-methylpyrazol-3-one?
The IUPAC name of 4-(3-chlorophenyl)-5-methylpyrazol-3-one (CID 23330088) is 4-(3-chlorophenyl)-5-methylpyrazol-3-one.
What is the SMILES notation for 4-(3-chlorophenyl)-5-methylpyrazol-3-one?
The canonical SMILES for 4-(3-chlorophenyl)-5-methylpyrazol-3-one is CC1=C(c2cccc(Cl)c2)C(=O)N=N1.
What is the InChIKey of 4-(3-chlorophenyl)-5-methylpyrazol-3-one?
The InChIKey is HQQYFTLMVJTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c1-6-9(10(14)13-12-6)7-3-2-4-8(11)5-7/h2-5H,1H3.
What are the key properties of 4-(3-chlorophenyl)-5-methylpyrazol-3-one?
4-(3-chlorophenyl)-5-methylpyrazol-3-one has a molecular weight of 206.63 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-methylpyrazol-3-one is sourced from PubChem (CID 23330088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).