5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

C18H16ClN5O2 — CID 136621809

IUPAC5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(/C=N/c2n[nH]c(Nc3cccc(Cl)c3)c2C(N)=O)c(O)c1
InChIInChI=1S/C18H16ClN5O2/c1-10-5-6-11(14(25)7-10)9-21-17-15(16(20)26)18(24-23-17)22-13-4-2-3-12(19)8-13/h2-9,25H,1H3,(H2,20,26)(H2,22,23,24)/b21-9+
InChIKeyGYRQDQFYCVWHFD-ZVBGSRNCSA-N
MW369.81 g/mol
LogP3.67
Rot. Bonds5

About 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (PubChem CID 136621809) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
PubChem CID136621809
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(/C=N/c2n[nH]c(Nc3cccc(Cl)c3)c2C(N)=O)c(O)c1
InChIInChI=1S/C18H16ClN5O2/c1-10-5-6-11(14(25)7-10)9-21-17-15(16(20)26)18(24-23-17)22-13-4-2-3-12(19)8-13/h2-9,25H,1H3,(H2,20,26)(H2,22,23,24)/b21-9+
InChIKeyGYRQDQFYCVWHFD-ZVBGSRNCSA-N
XLogP3.67
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chloroanilino)-3-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 136619558
5-(3-chloroanilino)-3-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 86701911
5-(4-chloroanilino)-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
CID 136621793
3-[(2-hydroxy-4-methylphenyl)methylideneamino]-5-[3-(iodomethyl)anilino]-1H-pyrazole-4-carbonitrile
CID 136621783
3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-[3-(iodomethyl)anilino]-1H-pyrazole-4-carboxamide
CID 136621804
5-(3-chloroanilino)-3-(1H-pyrrol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
CID 71765595
5-(3-chloroanilino)-3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 71765484
N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 1100731
5-[(3-chlorophenyl)methyl]-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 159510070
5-[(3-chlorophenyl)methyl]-3-[[2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 162156801
3-[(2-chloro-4-methylphenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile
CID 158035930
5-[(3-chlorophenyl)methyl]-3-[(2,4-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
CID 158332931

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (CID 136621809) is 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is Cc1ccc(/C=N/c2n[nH]c(Nc3cccc(Cl)c3)c2C(N)=O)c(O)c1.
What is the InChIKey of 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The InChIKey is GYRQDQFYCVWHFD-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-10-5-6-11(14(25)7-10)9-21-17-15(16(20)26)18(24-23-17)22-13-4-2-3-12(19)8-13/h2-9,25H,1H3,(H2,20,26)(H2,22,23,24)/b21-9+.
What are the key properties of 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 136621809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).