1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide

C14H15FIN3O — CID 142010489

IUPAC1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(I)C(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H15FIN3O/c1-3-8-18(16)14(20)13-9-17-19(10(13)2)12-6-4-11(15)5-7-12/h4-7,9H,3,8H2,1-2H3
InChIKeyMGQDTLFMYORPLB-UHFFFAOYSA-N
MW387.20 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide (PubChem CID 142010489) has the molecular formula C14H15FIN3O and a molecular weight of 387.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
PubChem CID142010489
Molecular FormulaC14H15FIN3O
Molecular Weight387.20 g/mol
Exact Mass387.02
IUPAC Name1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(I)C(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H15FIN3O/c1-3-8-18(16)14(20)13-9-17-19(10(13)2)12-6-4-11(15)5-7-12/h4-7,9H,3,8H2,1-2H3
InChIKeyMGQDTLFMYORPLB-UHFFFAOYSA-N
XLogP3.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119582420
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
N-(cyanomethyl)-N-cyclopropyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47795680
1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39862153
N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39644068
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46578214
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide (CID 142010489) is 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide is CCCN(I)C(=O)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide?
The InChIKey is MGQDTLFMYORPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3O/c1-3-8-18(16)14(20)13-9-17-19(10(13)2)12-6-4-11(15)5-7-12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide has a molecular weight of 387.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 142010489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).