2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one

C11H10ClN3O2 — CID 13279460

IUPAC2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one
SMILESCc1c(N=O)c(=O)n(-c2cccc(Cl)c2)n1C
InChIInChI=1S/C11H10ClN3O2/c1-7-10(13-17)11(16)15(14(7)2)9-5-3-4-8(12)6-9/h3-6H,1-2H3
InChIKeyPGEQVNQSNBVHQR-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.54
Rot. Bonds2

About 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one

2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one (PubChem CID 13279460) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one
PubChem CID13279460
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one
SMILESCc1c(N=O)c(=O)n(-c2cccc(Cl)c2)n1C
InChIInChI=1S/C11H10ClN3O2/c1-7-10(13-17)11(16)15(14(7)2)9-5-3-4-8(12)6-9/h3-6H,1-2H3
InChIKeyPGEQVNQSNBVHQR-UHFFFAOYSA-N
XLogP2.54
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2841663
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
4-[(4-chloro-3-nitrophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3376750
4-[(2-butoxy-5-chlorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 545014
4-[(3-bromophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1098360
4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 785550
1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
CID 4064247
4-[[4-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 136798482
4-[(3-bromo-4-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3531138
1,5-dimethyl-4-(naphthalen-1-ylmethylideneamino)-2-phenylpyrazol-3-one
CID 690763
2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one
CID 134087050
4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3730319

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one (CID 13279460) is 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one is Cc1c(N=O)c(=O)n(-c2cccc(Cl)c2)n1C.
What is the InChIKey of 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one?
The InChIKey is PGEQVNQSNBVHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7-10(13-17)11(16)15(14(7)2)9-5-3-4-8(12)6-9/h3-6H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one?
2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one has a molecular weight of 251.67 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one is sourced from PubChem (CID 13279460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).