5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

C20H19ClN4O2 — CID 146876188

IUPAC5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C20H19ClN4O2/c1-11-6-14(7-12(2)18(11)26)10-23-20-17(19(22)27)16(24-25-20)9-13-4-3-5-15(21)8-13/h3-8,10,26H,9H2,1-2H3,(H2,22,27)(H,24,25)/b23-10+
InChIKeySQODUVYLWFISOL-AUEPDCJTSA-N
MW382.85 g/mol
LogP3.83
Rot. Bonds5

About 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (PubChem CID 146876188) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
PubChem CID146876188
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C20H19ClN4O2/c1-11-6-14(7-12(2)18(11)26)10-23-20-17(19(22)27)16(24-25-20)9-13-4-3-5-15(21)8-13/h3-8,10,26H,9H2,1-2H3,(H2,22,27)(H,24,25)/b23-10+
InChIKeySQODUVYLWFISOL-AUEPDCJTSA-N
XLogP3.83
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (CID 146876188) is 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is Cc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The InChIKey is SQODUVYLWFISOL-AUEPDCJTSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-11-6-14(7-12(2)18(11)26)10-23-20-17(19(22)27)16(24-25-20)9-13-4-3-5-15(21)8-13/h3-8,10,26H,9H2,1-2H3,(H2,22,27)(H,24,25)/b23-10+.
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 146876188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).