3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide

C17H15N5O — CID 5397773

IUPAC3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1cccnc1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C17H15N5O/c23-17(21-19-12-15-5-2-7-18-11-15)16-6-1-4-14(10-16)13-22-9-3-8-20-22/h1-12H,13H2,(H,21,23)/b19-12-
InChIKeyRNNKNEXSAKVJMI-UNOMPAQXSA-N
MW305.34 g/mol
LogP2.09
Rot. Bonds5

About 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide

3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 5397773) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID5397773
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1cccnc1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C17H15N5O/c23-17(21-19-12-15-5-2-7-18-11-15)16-6-1-4-14(10-16)13-22-9-3-8-20-22/h1-12H,13H2,(H,21,23)/b19-12-
InChIKeyRNNKNEXSAKVJMI-UNOMPAQXSA-N
XLogP2.09
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.09
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-[(3-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724894
N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 725007
N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724961
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724913
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 136858110
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 1268478
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 135688732
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875109
4-(dihydroxyamino)-2-nitro-6-[(E)-[[3-(pyrazol-1-ylmethyl)benzoyl]hydrazinylidene]methyl]phenolate
CID 137215945
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide (CID 5397773) is 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is O=C(N/N=C\c1cccnc1)c1cccc(Cn2cccn2)c1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is RNNKNEXSAKVJMI-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(21-19-12-15-5-2-7-18-11-15)16-6-1-4-14(10-16)13-22-9-3-8-20-22/h1-12H,13H2,(H,21,23)/b19-12-.
What are the key properties of 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide?
3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 5397773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).