N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine

C21H17N5 — CID 84931945

IUPACN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine
SMILESC(=NNc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H17N5/c1-3-9-17(10-4-1)21-18(15-23-24-20-13-7-8-14-22-20)16-26(25-21)19-11-5-2-6-12-19/h1-16H,(H,22,24)
InChIKeyOUFUSHFBHNCTSV-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.38
Rot. Bonds5

About N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine

N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine (PubChem CID 84931945) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine
PubChem CID84931945
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine
SMILESC(=NNc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H17N5/c1-3-9-17(10-4-1)21-18(15-23-24-20-13-7-8-14-22-20)16-26(25-21)19-11-5-2-6-12-19/h1-16H,(H,22,24)
InChIKeyOUFUSHFBHNCTSV-UHFFFAOYSA-N
XLogP4.38
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.38
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-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
CID 5213107
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
CID 21236357
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 75362969
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine
CID 3926285
1-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-phenylthiourea
CID 6899908
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 7976863
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 40646787
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
4-bromo-2,6-dichloro-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 71844798

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine (CID 84931945) is N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine is C(=NNc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine?
The InChIKey is OUFUSHFBHNCTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-3-9-17(10-4-1)21-18(15-23-24-20-13-7-8-14-22-20)16-26(25-21)19-11-5-2-6-12-19/h1-16H,(H,22,24).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine?
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine has a molecular weight of 339.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 84931945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).