3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide

C22H17N5O — CID 1128550

IUPAC3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1cccnc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C22H17N5O/c28-22(27-24-15-16-5-4-12-23-14-16)21-13-20(25-26-21)19-10-8-18(9-11-19)17-6-2-1-3-7-17/h1-15H,(H,25,26)(H,27,28)
InChIKeyHWUQPZDVQZIROY-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.90
Rot. Bonds5

About 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide

3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 1128550) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID1128550
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1cccnc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C22H17N5O/c28-22(27-24-15-16-5-4-12-23-14-16)21-13-20(25-26-21)19-10-8-18(9-11-19)17-6-2-1-3-7-17/h1-15H,(H,25,26)(H,27,28)
InChIKeyHWUQPZDVQZIROY-UHFFFAOYSA-N
XLogP3.90
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 829528
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817
N-[(Z)-benzylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 5402992
3-(4-fluorophenyl)-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 761755
N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 4095176
N-[(E)-benzylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
CID 6863551
4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3491644
3-(4-bromophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6888214

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide (CID 1128550) is 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide is O=C(NN=Cc1cccnc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1.
What is the InChIKey of 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is HWUQPZDVQZIROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22(27-24-15-16-5-4-12-23-14-16)21-13-20(25-26-21)19-10-8-18(9-11-19)17-6-2-1-3-7-17/h1-15H,(H,25,26)(H,27,28).
What are the key properties of 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1128550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).