1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide

C21H16N4OS — CID 7929589

IUPAC1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide
SMILESO=C(N/N=C\c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16N4OS/c26-21(23-22-14-18-12-7-13-27-18)19-15-25(17-10-5-2-6-11-17)24-20(19)16-8-3-1-4-9-16/h1-15H,(H,23,26)/b22-14-
InChIKeyNEQBWZJTKRHIBF-HMAPJEAMSA-N
MW372.45 g/mol
LogP4.36
Rot. Bonds5

About 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide

1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide (PubChem CID 7929589) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide
PubChem CID7929589
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide
SMILESO=C(N/N=C\c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16N4OS/c26-21(23-22-14-18-12-7-13-27-18)19-15-25(17-10-5-2-6-11-17)24-20(19)16-8-3-1-4-9-16/h1-15H,(H,23,26)/b22-14-
InChIKeyNEQBWZJTKRHIBF-HMAPJEAMSA-N
XLogP4.36
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.36
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

1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
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
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
CID 135794969
2,4-dichloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 126372269
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
CID 18269191
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
4-methyl-3-phenyl-N-(thiophen-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 775814

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide?
The IUPAC name of 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide (CID 7929589) is 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide is O=C(N/N=C\c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide?
The InChIKey is NEQBWZJTKRHIBF-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-21(23-22-14-18-12-7-13-27-18)19-15-25(17-10-5-2-6-11-17)24-20(19)16-8-3-1-4-9-16/h1-15H,(H,23,26)/b22-14-.
What are the key properties of 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide?
1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide is sourced from PubChem (CID 7929589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).