2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide

C19H20N4O2 — CID 78673829

IUPAC2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide
SMILESNCCCOc1cc(-c2cn[nH]c2)ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20N4O2/c20-9-4-10-25-18-11-14(15-12-21-22-13-15)7-8-17(18)19(24)23-16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,20H2,(H,21,22)(H,23,24)
InChIKeyKLMWPYHIMXLJIE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.06
Rot. Bonds7

About 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide

2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 78673829) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide
PubChem CID78673829
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide
SMILESNCCCOc1cc(-c2cn[nH]c2)ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20N4O2/c20-9-4-10-25-18-11-14(15-12-21-22-13-15)7-8-17(18)19(24)23-16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,20H2,(H,21,22)(H,23,24)
InChIKeyKLMWPYHIMXLJIE-UHFFFAOYSA-N
XLogP3.06
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide (CID 78673829) is 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide is NCCCOc1cc(-c2cn[nH]c2)ccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is KLMWPYHIMXLJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-9-4-10-25-18-11-14(15-12-21-22-13-15)7-8-17(18)19(24)23-16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,20H2,(H,21,22)(H,23,24).
What are the key properties of 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide?
2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 78673829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).