N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide

C7H10IN3O — CID 19262123

IUPACN-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCCNC(=O)c1nn(C)cc1I
InChIInChI=1S/C7H10IN3O/c1-3-9-7(12)6-5(8)4-11(2)10-6/h4H,3H2,1-2H3,(H,9,12)
InChIKeyPDAFDEGAFNMRSH-UHFFFAOYSA-N
MW279.08 g/mol
LogP0.77
Rot. Bonds2

About N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide

N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 19262123) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID19262123
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC NameN-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCCNC(=O)c1nn(C)cc1I
InChIInChI=1S/C7H10IN3O/c1-3-9-7(12)6-5(8)4-11(2)10-6/h4H,3H2,1-2H3,(H,9,12)
InChIKeyPDAFDEGAFNMRSH-UHFFFAOYSA-N
XLogP0.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide
CID 167783297
N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261948
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262015
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262144
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide
CID 7008767
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262102
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 135411998

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide (CID 19262123) is N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide is CCNC(=O)c1nn(C)cc1I.
What is the InChIKey of N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is PDAFDEGAFNMRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c1-3-9-7(12)6-5(8)4-11(2)10-6/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide?
N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 279.08 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).