N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide

C19H14N4O2S — CID 1285189

IUPACN-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1
InChIInChI=1S/C19H14N4O2S/c24-19(16-8-4-10-25-16)21-20-12-14-13-23(15-6-2-1-3-7-15)22-18(14)17-9-5-11-26-17/h1-13H,(H,21,24)
InChIKeyRWGNYGAGYWWDOB-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.96
Rot. Bonds5

About N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide

N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide (PubChem CID 1285189) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
PubChem CID1285189
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1
InChIInChI=1S/C19H14N4O2S/c24-19(16-8-4-10-25-16)21-20-12-14-13-23(15-6-2-1-3-7-15)22-18(14)17-9-5-11-26-17/h1-13H,(H,21,24)
InChIKeyRWGNYGAGYWWDOB-UHFFFAOYSA-N
XLogP3.96
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.96
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

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
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 5455968
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
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
2,4-dichloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 126372269
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9023528
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
CID 4638657
3-[(2Z)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoate
CID 7417340
(E)-N-(furan-2-ylmethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 2406222
2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
CID 4641601

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide (CID 1285189) is N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1.
What is the InChIKey of N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is RWGNYGAGYWWDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-19(16-8-4-10-25-16)21-20-12-14-13-23(15-6-2-1-3-7-15)22-18(14)17-9-5-11-26-17/h1-13H,(H,21,24).
What are the key properties of N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 1285189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).