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

C14H16IN3O — CID 985923

IUPACN-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(I)cc2)n(C)n1
InChIInChI=1S/C14H16IN3O/c1-3-4-12-9-13(18(2)17-12)14(19)16-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeyCLFVDQBPRDCKJY-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.23
Rot. Bonds4

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

N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 985923) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID985923
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC NameN-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(I)cc2)n(C)n1
InChIInChI=1S/C14H16IN3O/c1-3-4-12-9-13(18(2)17-12)14(19)16-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeyCLFVDQBPRDCKJY-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide (CID 985923) is N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)Nc2ccc(I)cc2)n(C)n1.
What is the InChIKey of N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is CLFVDQBPRDCKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-3-4-12-9-13(18(2)17-12)14(19)16-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,19).
What are the key properties of N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide?
N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 369.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 985923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).