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

C17H15N5O — CID 3491644

IUPAC4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NN=Cc1cccnc1
InChIInChI=1S/C17H15N5O/c1-12-15(14-7-3-2-4-8-14)20-21-16(12)17(23)22-19-11-13-6-5-9-18-10-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyZWCHWOHOXSQFOA-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.54
Rot. Bonds4

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

4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 3491644) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID3491644
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NN=Cc1cccnc1
InChIInChI=1S/C17H15N5O/c1-12-15(14-7-3-2-4-8-14)20-21-16(12)17(23)22-19-11-13-6-5-9-18-10-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyZWCHWOHOXSQFOA-UHFFFAOYSA-N
XLogP2.54
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.54
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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 135704390
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6000038
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6888323
N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 761031
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 5402486
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6863444
4-methyl-3-phenyl-N-(thiophen-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 775814
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 136913822
3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1128550
4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 950350
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide (CID 3491644) is 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide is Cc1c(-c2ccccc2)n[nH]c1C(=O)NN=Cc1cccnc1.
What is the InChIKey of 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is ZWCHWOHOXSQFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12-15(14-7-3-2-4-8-14)20-21-16(12)17(23)22-19-11-13-6-5-9-18-10-13/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3491644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).