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

C14H16IN3O — CID 62038999

IUPAC3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H16IN3O/c1-10-12(9-17-18-10)5-3-7-16-14(19)11-4-2-6-13(15)8-11/h2,4,6,8-9H,3,5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyPHZCBNLQRBFHRD-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.69
Rot. Bonds5

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

3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 62038999) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID62038999
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H16IN3O/c1-10-12(9-17-18-10)5-3-7-16-14(19)11-4-2-6-13(15)8-11/h2,4,6,8-9H,3,5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyPHZCBNLQRBFHRD-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

3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038357
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 62039846
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
2-(dimethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 62039632
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100514262
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039228
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 103872854
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 62038999) is 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is Cc1[nH]ncc1CCCNC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is PHZCBNLQRBFHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-10-12(9-17-18-10)5-3-7-16-14(19)11-4-2-6-13(15)8-11/h2,4,6,8-9H,3,5,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
3-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 3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 62038999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).