4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide

C14H15ClIN3O — CID 985907

IUPAC4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2ccc(I)cc2)c1Cl
InChIInChI=1S/C14H15ClIN3O/c1-3-4-11-12(15)13(19(2)18-11)14(20)17-10-7-5-9(16)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,20)
InChIKeyILNXJJQHTGROAZ-UHFFFAOYSA-N
MW403.65 g/mol
LogP3.88
Rot. Bonds4

About 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide

4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 985907) has the molecular formula C14H15ClIN3O and a molecular weight of 403.65 g/mol. Its IUPAC name is 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID985907
Molecular FormulaC14H15ClIN3O
Molecular Weight403.65 g/mol
Exact Mass402.99
IUPAC Name4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2ccc(I)cc2)c1Cl
InChIInChI=1S/C14H15ClIN3O/c1-3-4-11-12(15)13(19(2)18-11)14(20)17-10-7-5-9(16)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,20)
InChIKeyILNXJJQHTGROAZ-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.65
LogP ≤ 53.88
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

methyl 4-[(4-chloro-1-methyl-3-propylpyrazole-5-carbonyl)amino]benzoate
CID 850812
methyl 3-[(4-chloro-1-methyl-3-propylpyrazole-5-carbonyl)amino]benzoate
CID 850815
4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
CID 850813
N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 985923
5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 19476903
4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 3604338
4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 14460827
4-chloro-3-ethyl-N-[(4-hexylphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 14460836
5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 13174843
4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 724099
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide (CID 985907) is 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(=O)Nc2ccc(I)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is ILNXJJQHTGROAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3O/c1-3-4-11-12(15)13(19(2)18-11)14(20)17-10-7-5-9(16)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 403.65 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 985907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).