N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide

C19H14N4O2S — CID 5455968

IUPACN-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1cccs1
InChIInChI=1S/C19H14N4O2S/c24-19(17-9-5-11-26-17)21-20-12-14-13-23(15-6-2-1-3-7-15)22-18(14)16-8-4-10-25-16/h1-13H,(H,21,24)/b20-12-
InChIKeyLRFYSESMFLZXNV-NDENLUEZSA-N
MW362.41 g/mol
LogP3.96
Rot. Bonds5

About N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide

N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide (PubChem CID 5455968) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
PubChem CID5455968
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1cccs1
InChIInChI=1S/C19H14N4O2S/c24-19(17-9-5-11-26-17)21-20-12-14-13-23(15-6-2-1-3-7-15)22-18(14)16-8-4-10-25-16/h1-13H,(H,21,24)/b20-12-
InChIKeyLRFYSESMFLZXNV-NDENLUEZSA-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

N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9023528
N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 1285189
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]-2-(2-methoxyanilino)acetamide
CID 8974950
2-amino-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 21370941
2-bromo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 5151763
2,4-dichloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 126372269
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 9211955
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820843
1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide
CID 7929589

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide (CID 5455968) is N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1cccs1.
What is the InChIKey of N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is LRFYSESMFLZXNV-NDENLUEZSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-19(17-9-5-11-26-17)21-20-12-14-13-23(15-6-2-1-3-7-15)22-18(14)16-8-4-10-25-16/h1-13H,(H,21,24)/b20-12-.
What are the key properties of N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide?
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-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-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 5455968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).