N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide

C14H16IN3O3 — CID 19479909

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2[nH]ncc2I)c1
InChIInChI=1S/C14H16IN3O3/c1-8(17-14(19)13-11(15)7-16-18-13)10-6-9(20-2)4-5-12(10)21-3/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyGTMZQQZAPDWRSV-UHFFFAOYSA-N
MW401.20 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 19479909) has the molecular formula C14H16IN3O3 and a molecular weight of 401.20 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID19479909
Molecular FormulaC14H16IN3O3
Molecular Weight401.20 g/mol
Exact Mass401.02
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2[nH]ncc2I)c1
InChIInChI=1S/C14H16IN3O3/c1-8(17-14(19)13-11(15)7-16-18-13)10-6-9(20-2)4-5-12(10)21-3/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyGTMZQQZAPDWRSV-UHFFFAOYSA-N
XLogP2.52
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-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

Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide
CID 133164699
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508228
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide (CID 19479909) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2[nH]ncc2I)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is GTMZQQZAPDWRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O3/c1-8(17-14(19)13-11(15)7-16-18-13)10-6-9(20-2)4-5-12(10)21-3/h4-8H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 401.20 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).