4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

C12H12N4O2 — CID 915276

IUPAC4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(/N=C/c2ccccc2O)c1C(N)=O
InChIInChI=1S/C12H12N4O2/c1-16-11(12(13)18)9(7-15-16)14-6-8-4-2-3-5-10(8)17/h2-7,17H,1H3,(H2,13,18)/b14-6+
InChIKeyHVTZEPJHXMOGFQ-MKMNVTDBSA-N
MW244.25 g/mol
LogP0.98
Rot. Bonds3

About 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (PubChem CID 915276) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
PubChem CID915276
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(/N=C/c2ccccc2O)c1C(N)=O
InChIInChI=1S/C12H12N4O2/c1-16-11(12(13)18)9(7-15-16)14-6-8-4-2-3-5-10(8)17/h2-7,17H,1H3,(H2,13,18)/b14-6+
InChIKeyHVTZEPJHXMOGFQ-MKMNVTDBSA-N
XLogP0.98
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

PharmaGSID_47263
CID 135418174
1,6-Dihydro-5-(2-hydroxyphenyl)-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135546517
(6E)-6-[[[1-methyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 658220
4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-1-methyl-N-phenyl-1H-pyrazole-5-carboxamide
CID 657770
4-(Carbamoylamino)-1-[4-(4-hydroxyphenyl)phenyl]pyrazole-3-carboxamide
CID 44450772
4-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 835566
N-(2-methoxyphenyl)-2-methyl-4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pyrazole-3-carboxamide
CID 1100740
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 47076872
4-(2-{1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-piperidinyl}ethyl)phenol
CID 70720134
5-[4-(2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazol-1-yl]nicotinamide
CID 50971334
2-hydroxy-N-[(Z)-[1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)-4-oxobutan-2-ylidene]amino]benzamide
CID 25204259
4-[(aminocarbonyl)amino]-1-(2-fluoro-2'-hydroxy-1,1'-biphenyl-4-yl)-1H-pyrazole-3-carboxamide
CID 60032252

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (CID 915276) is 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is Cn1ncc(/N=C/c2ccccc2O)c1C(N)=O.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is HVTZEPJHXMOGFQ-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-11(12(13)18)9(7-15-16)14-6-8-4-2-3-5-10(8)17/h2-7,17H,1H3,(H2,13,18)/b14-6+.
What are the key properties of 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 915276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).