N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide

C13H18IN5O — CID 19262015

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2nn(C)cc2I)n1
InChIInChI=1S/C13H18IN5O/c1-9-7-10(2)19(16-9)6-4-5-15-13(20)12-11(14)8-18(3)17-12/h7-8H,4-6H2,1-3H3,(H,15,20)
InChIKeyFNYPJAGKXMLZOA-UHFFFAOYSA-N
MW387.23 g/mol
LogP1.66
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 19262015) has the molecular formula C13H18IN5O and a molecular weight of 387.23 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID19262015
Molecular FormulaC13H18IN5O
Molecular Weight387.23 g/mol
Exact Mass387.06
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2nn(C)cc2I)n1
InChIInChI=1S/C13H18IN5O/c1-9-7-10(2)19(16-9)6-4-5-15-13(20)12-11(14)8-18(3)17-12/h7-8H,4-6H2,1-3H3,(H,15,20)
InChIKeyFNYPJAGKXMLZOA-UHFFFAOYSA-N
XLogP1.66
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-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

4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-iodothiophene-3-carboxamide
CID 78949506
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34733419
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide (CID 19262015) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2nn(C)cc2I)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is FNYPJAGKXMLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN5O/c1-9-7-10(2)19(16-9)6-4-5-15-13(20)12-11(14)8-18(3)17-12/h7-8H,4-6H2,1-3H3,(H,15,20).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 387.23 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).