2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine

C17H16N6 — CID 2346353

IUPAC2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H16N6/c18-17(19)21-20-11-14-12-23(15-9-5-2-6-10-15)22-16(14)13-7-3-1-4-8-13/h1-12H,(H4,18,19,21)
InChIKeyNMGWKCHTMNJLNC-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.15
Rot. Bonds4

About 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine

2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine (PubChem CID 2346353) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
PubChem CID2346353
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H16N6/c18-17(19)21-20-11-14-12-23(15-9-5-2-6-10-15)22-16(14)13-7-3-1-4-8-13/h1-12H,(H4,18,19,21)
InChIKeyNMGWKCHTMNJLNC-UHFFFAOYSA-N
XLogP2.15
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

triphenylsilyl N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]carbamimidothioate
CID 46933831
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
CID 2488828
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688370
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688371
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
CID 21236357
2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 3727889
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-(4-methylphenyl)quinoline-2-carboximidamide
CID 135602467

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine (CID 2346353) is 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine is NC(N)=NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine?
The InChIKey is NMGWKCHTMNJLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c18-17(19)21-20-11-14-12-23(15-9-5-2-6-10-15)22-16(14)13-7-3-1-4-8-13/h1-12H,(H4,18,19,21).
What are the key properties of 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine?
2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine has a molecular weight of 304.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine is sourced from PubChem (CID 2346353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).