2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

C14H16IN3O — CID 62040491

IUPAC2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1ccccc1I
InChIInChI=1S/C14H16IN3O/c1-10-11(9-17-18-10)5-4-8-16-14(19)12-6-2-3-7-13(12)15/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyKEBZKVQKCAAYQP-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.69
Rot. Bonds5

About 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 62040491) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID62040491
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1ccccc1I
InChIInChI=1S/C14H16IN3O/c1-10-11(9-17-18-10)5-4-8-16-14(19)12-6-2-3-7-13(12)15/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyKEBZKVQKCAAYQP-UHFFFAOYSA-N
XLogP2.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038999
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040874
4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 103872854
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171
2-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038357
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 62040491) is 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is Cc1[nH]ncc1CCCNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is KEBZKVQKCAAYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-10-11(9-17-18-10)5-4-8-16-14(19)12-6-2-3-7-13(12)15/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 369.21 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 62040491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).