2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide

C19H20N4O — CID 118662916

IUPAC2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESNc1cc(-c2cn[nH]c2)ccc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H20N4O/c20-18-11-15(16-12-22-23-13-16)8-9-17(18)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10,20H2,(H,21,24)(H,22,23)
InChIKeyNFEOVSMGURSBHD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.02
Rot. Bonds6

About 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide

2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662916) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662916
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESNc1cc(-c2cn[nH]c2)ccc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H20N4O/c20-18-11-15(16-12-22-23-13-16)8-9-17(18)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10,20H2,(H,21,24)(H,22,23)
InChIKeyNFEOVSMGURSBHD-UHFFFAOYSA-N
XLogP3.02
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118663086
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090
2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692643
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 135138513
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369
3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 74249008
5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62238180

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide (CID 118662916) is 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide is Nc1cc(-c2cn[nH]c2)ccc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is NFEOVSMGURSBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-18-11-15(16-12-22-23-13-16)8-9-17(18)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10,20H2,(H,21,24)(H,22,23).
What are the key properties of 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide?
2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 320.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).