N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide

C10H9IN4O2 — CID 6872092

IUPACN-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)N/N=C/c2ccco2)n1
InChIInChI=1S/C10H9IN4O2/c1-15-6-8(11)9(14-15)10(16)13-12-5-7-3-2-4-17-7/h2-6H,1H3,(H,13,16)/b12-5+
InChIKeyNCHKISSROFOMOI-LFYBBSHMSA-N
MW344.11 g/mol
LogP1.38
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 6872092) has the molecular formula C10H9IN4O2 and a molecular weight of 344.11 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID6872092
Molecular FormulaC10H9IN4O2
Molecular Weight344.11 g/mol
Exact Mass343.98
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)N/N=C/c2ccco2)n1
InChIInChI=1S/C10H9IN4O2/c1-15-6-8(11)9(14-15)10(16)13-12-5-7-3-2-4-17-7/h2-6H,1H3,(H,13,16)/b12-5+
InChIKeyNCHKISSROFOMOI-LFYBBSHMSA-N
XLogP1.38
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 135411998
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 6885012
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 136697524
N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5125087
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
1-(4-bromoanilino)-N-[(E)-furan-2-ylmethylideneamino]-5-methyltriazole-4-carboxamide
CID 56679718
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 768290

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide (CID 6872092) is N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)N/N=C/c2ccco2)n1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is NCHKISSROFOMOI-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H9IN4O2/c1-15-6-8(11)9(14-15)10(16)13-12-5-7-3-2-4-17-7/h2-6H,1H3,(H,13,16)/b12-5+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 344.11 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6872092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).