N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C12H11FN4O — CID 5105214

IUPACN-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2cccc(F)c2)n[nH]1
InChIInChI=1S/C12H11FN4O/c1-8-5-11(16-15-8)12(18)17-14-7-9-3-2-4-10(13)6-9/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeySNQWRWOJVLVFFO-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.62
Rot. Bonds3

About N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 5105214) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID5105214
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2cccc(F)c2)n[nH]1
InChIInChI=1S/C12H11FN4O/c1-8-5-11(16-15-8)12(18)17-14-7-9-3-2-4-10(13)6-9/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeySNQWRWOJVLVFFO-UHFFFAOYSA-N
XLogP1.62
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 947874
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5344234
[3-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 3730007
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
5-methyl-N-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760769
2-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6890868
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 40713922
N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5404758
N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 841340
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(4-fluorophenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 761805
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136728469

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 5105214) is N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NN=Cc2cccc(F)c2)n[nH]1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is SNQWRWOJVLVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-8-5-11(16-15-8)12(18)17-14-7-9-3-2-4-10(13)6-9/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5105214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).