5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide

C18H17N5O2 — CID 2813634

IUPAC5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(C=NNC(=O)c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C18H17N5O2/c1-25-15-9-5-6-13(10-15)11-20-22-18(24)16-12-21-23(17(16)19)14-7-3-2-4-8-14/h2-12H,19H2,1H3,(H,22,24)
InChIKeyCEVQFUBXBHIHHK-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.23
Rot. Bonds5

About 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide

5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 2813634) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
PubChem CID2813634
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(C=NNC(=O)c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C18H17N5O2/c1-25-15-9-5-6-13(10-15)11-20-22-18(24)16-12-21-23(17(16)19)14-7-3-2-4-8-14/h2-12H,19H2,1H3,(H,22,24)
InChIKeyCEVQFUBXBHIHHK-UHFFFAOYSA-N
XLogP2.23
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 2813638
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
4-chloro-5-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339399
2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide (CID 2813634) is 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide is COc1cccc(C=NNC(=O)c2cnn(-c3ccccc3)c2N)c1.
What is the InChIKey of 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is CEVQFUBXBHIHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-15-9-5-6-13(10-15)11-20-22-18(24)16-12-21-23(17(16)19)14-7-3-2-4-8-14/h2-12H,19H2,1H3,(H,22,24).
What are the key properties of 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2813634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).