5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C14H12N4O2S — CID 5395277

IUPAC5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C\c3cccs3)n[nH]2)o1
InChIInChI=1S/C14H12N4O2S/c1-9-4-5-13(20-9)11-7-12(17-16-11)14(19)18-15-8-10-3-2-6-21-10/h2-8H,1H3,(H,16,17)(H,18,19)/b15-8-
InChIKeyPVVSLQXZMCHWMV-NVNXTCNLSA-N
MW300.34 g/mol
LogP2.80
Rot. Bonds4

About 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5395277) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5395277
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C\c3cccs3)n[nH]2)o1
InChIInChI=1S/C14H12N4O2S/c1-9-4-5-13(20-9)11-7-12(17-16-11)14(19)18-15-8-10-3-2-6-21-10/h2-8H,1H3,(H,16,17)(H,18,19)/b15-8-
InChIKeyPVVSLQXZMCHWMV-NVNXTCNLSA-N
XLogP2.80
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
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

5-(5-methylthiophen-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6869532
5-(5-methylfuran-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5402591
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862389
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862386
2-oxo-6-thiophen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrimidine-4-carboxamide
CID 110525744
3-(1-methylpyrrol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5345439
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6077693
N-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5402665
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195
3-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5412743
N-[(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 761333

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 5395277) is 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C\c3cccs3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is PVVSLQXZMCHWMV-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-9-4-5-13(20-9)11-7-12(17-16-11)14(19)18-15-8-10-3-2-6-21-10/h2-8H,1H3,(H,16,17)(H,18,19)/b15-8-.
What are the key properties of 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5395277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).