3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine

C19H20N6O2 — CID 53357332

IUPAC3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc(/C=N/Nc2cc(N/N=C/c3ccc(OC)cc3)[nH]n2)cc1
InChIInChI=1S/C19H20N6O2/c1-26-16-7-3-14(4-8-16)12-20-22-18-11-19(25-24-18)23-21-13-15-5-9-17(27-2)10-6-15/h3-13H,1-2H3,(H3,22,23,24,25)/b20-12+,21-13+
InChIKeyUDHGNEWKAMUKKO-ZIOPAAQOSA-N
MW364.41 g/mol
LogP3.32
Rot. Bonds8

About 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine

3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine (PubChem CID 53357332) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
PubChem CID53357332
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc(/C=N/Nc2cc(N/N=C/c3ccc(OC)cc3)[nH]n2)cc1
InChIInChI=1S/C19H20N6O2/c1-26-16-7-3-14(4-8-16)12-20-22-18-11-19(25-24-18)23-21-13-15-5-9-17(27-2)10-6-15/h3-13H,1-2H3,(H3,22,23,24,25)/b20-12+,21-13+
InChIKeyUDHGNEWKAMUKKO-ZIOPAAQOSA-N
XLogP3.32
TPSA95.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
CID 3106990
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
4-N-(4-chlorophenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
CID 143789926
N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
CID 44537115
6-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyrimidin-4-amine
CID 5338791
N-[(4-butoxyphenyl)methylideneamino]-6-chloro-2-methylpyrimidin-4-amine
CID 2841999

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine?
The IUPAC name of 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine (CID 53357332) is 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine is COc1ccc(/C=N/Nc2cc(N/N=C/c3ccc(OC)cc3)[nH]n2)cc1.
What is the InChIKey of 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine?
The InChIKey is UDHGNEWKAMUKKO-ZIOPAAQOSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-26-16-7-3-14(4-8-16)12-20-22-18-11-19(25-24-18)23-21-13-15-5-9-17(27-2)10-6-15/h3-13H,1-2H3,(H3,22,23,24,25)/b20-12+,21-13+.
What are the key properties of 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine?
3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine has a molecular weight of 364.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 53357332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).