N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide

C9H8N4O2 — CID 768290

IUPACN-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1ccco1)c1ccn[nH]1
InChIInChI=1S/C9H8N4O2/c14-9(8-3-4-10-12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H,10,12)(H,13,14)
InChIKeyFSXZXXXMFAXQTH-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.77
Rot. Bonds3

About N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide

N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 768290) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID768290
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC NameN-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1ccco1)c1ccn[nH]1
InChIInChI=1S/C9H8N4O2/c14-9(8-3-4-10-12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H,10,12)(H,13,14)
InChIKeyFSXZXXXMFAXQTH-UHFFFAOYSA-N
XLogP0.77
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 4095176
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5391786
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
3-(3,4-dimethylphenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6176577
5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862082
N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522943
N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760721
5-tert-butyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5332549
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide (CID 768290) is N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide is O=C(NN=Cc1ccco1)c1ccn[nH]1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is FSXZXXXMFAXQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9(8-3-4-10-12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H,10,12)(H,13,14).
What are the key properties of N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 768290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).