1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine

C22H20N4OS — CID 29147920

IUPAC1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
SMILESCOc1ccccc1CN/N=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H20N4OS/c1-27-20-11-6-5-8-17(20)14-23-24-15-18-16-26(19-9-3-2-4-10-19)25-22(18)21-12-7-13-28-21/h2-13,15-16,23H,14H2,1H3/b24-15-
InChIKeyBNPUNEBCVUUFAL-IWIPYMOSSA-N
MW388.50 g/mol
LogP4.73
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine

1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine (PubChem CID 29147920) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
PubChem CID29147920
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
SMILESCOc1ccccc1CN/N=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H20N4OS/c1-27-20-11-6-5-8-17(20)14-23-24-15-18-16-26(19-9-3-2-4-10-19)25-22(18)21-12-7-13-28-21/h2-13,15-16,23H,14H2,1H3/b24-15-
InChIKeyBNPUNEBCVUUFAL-IWIPYMOSSA-N
XLogP4.73
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
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

2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
CID 4641601
1-phenyl-3-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 56727062
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6180975
2,4,6-trichloro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]aniline
CID 4555305
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
3-methoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
CID 6623412
2-bromo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 5151763
2-amino-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 21370941
1-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2391067
N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 1285189
5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 71952798
3-[(2Z)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoate
CID 7417340

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine (CID 29147920) is 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine is COc1ccccc1CN/N=C\c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine?
The InChIKey is BNPUNEBCVUUFAL-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-27-20-11-6-5-8-17(20)14-23-24-15-18-16-26(19-9-3-2-4-10-19)25-22(18)21-12-7-13-28-21/h2-13,15-16,23H,14H2,1H3/b24-15-.
What are the key properties of 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine?
1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine has a molecular weight of 388.50 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine is sourced from PubChem (CID 29147920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).