N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide

C10H14IN3O — CID 130921499

IUPACN-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide
SMILESCCC1(NC(=O)c2cnn(C)c2I)CC1
InChIInChI=1S/C10H14IN3O/c1-3-10(4-5-10)13-9(15)7-6-12-14(2)8(7)11/h6H,3-5H2,1-2H3,(H,13,15)
InChIKeyOHQOIAVBRJVIDN-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.70
Rot. Bonds3

About N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide

N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide (PubChem CID 130921499) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide
PubChem CID130921499
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC NameN-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide
SMILESCCC1(NC(=O)c2cnn(C)c2I)CC1
InChIInChI=1S/C10H14IN3O/c1-3-10(4-5-10)13-9(15)7-6-12-14(2)8(7)11/h6H,3-5H2,1-2H3,(H,13,15)
InChIKeyOHQOIAVBRJVIDN-UHFFFAOYSA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.70
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

5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
CID 104625668
5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide
CID 71068971
N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114300573
5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 103940231
(5-iodo-1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methanone
CID 131019775
4-bromo-N-(1-ethylcyclopropyl)benzamide
CID 131025860
5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 104591802
N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide
CID 165458560
2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 114035108
2-(ethylamino)-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
CID 113489132
N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide
CID 60709599
2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
CID 103721956

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide (CID 130921499) is N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide is CCC1(NC(=O)c2cnn(C)c2I)CC1.
What is the InChIKey of N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide?
The InChIKey is OHQOIAVBRJVIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-3-10(4-5-10)13-9(15)7-6-12-14(2)8(7)11/h6H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide?
N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide has a molecular weight of 319.15 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 130921499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).