N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H16FN5O — CID 5432280

IUPACN-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccccc2)nc2c(C(=O)N/N=C\c3cccc(F)c3)cnn12
InChIInChI=1S/C21H16FN5O/c1-14-10-19(16-7-3-2-4-8-16)25-20-18(13-24-27(14)20)21(28)26-23-12-15-6-5-9-17(22)11-15/h2-13H,1H3,(H,26,28)/b23-12-
InChIKeyZBBXQIJOGOWGBJ-FMCGGJTJSA-N
MW373.39 g/mol
LogP3.61
Rot. Bonds4

About N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5432280) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5432280
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC NameN-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccccc2)nc2c(C(=O)N/N=C\c3cccc(F)c3)cnn12
InChIInChI=1S/C21H16FN5O/c1-14-10-19(16-7-3-2-4-8-16)25-20-18(13-24-27(14)20)21(28)26-23-12-15-6-5-9-17(22)11-15/h2-13H,1H3,(H,26,28)/b23-12-
InChIKeyZBBXQIJOGOWGBJ-FMCGGJTJSA-N
XLogP3.61
TPSA71.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986798
N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4670747
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
N-[2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637933
N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107653
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5105214
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019016

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5432280) is N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2ccccc2)nc2c(C(=O)N/N=C\c3cccc(F)c3)cnn12.
What is the InChIKey of N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZBBXQIJOGOWGBJ-FMCGGJTJSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-14-10-19(16-7-3-2-4-8-16)25-20-18(13-24-27(14)20)21(28)26-23-12-15-6-5-9-17(22)11-15/h2-13H,1H3,(H,26,28)/b23-12-.
What are the key properties of N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5432280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).