3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide

C16H22N4O — CID 119951131

IUPAC3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide
SMILESCn1cc(CCCNC(=O)CC(N)c2ccccc2)cn1
InChIInChI=1S/C16H22N4O/c1-20-12-13(11-19-20)6-5-9-18-16(21)10-15(17)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10,17H2,1H3,(H,18,21)
InChIKeyHQVWYWRLCZNTIE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.56
Rot. Bonds7

About 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide

3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide (PubChem CID 119951131) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide
PubChem CID119951131
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide
SMILESCn1cc(CCCNC(=O)CC(N)c2ccccc2)cn1
InChIInChI=1S/C16H22N4O/c1-20-12-13(11-19-20)6-5-9-18-16(21)10-15(17)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10,17H2,1H3,(H,18,21)
InChIKeyHQVWYWRLCZNTIE-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947
3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 91785576
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide (CID 119951131) is 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide is Cn1cc(CCCNC(=O)CC(N)c2ccccc2)cn1.
What is the InChIKey of 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide?
The InChIKey is HQVWYWRLCZNTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20-12-13(11-19-20)6-5-9-18-16(21)10-15(17)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10,17H2,1H3,(H,18,21).
What are the key properties of 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide?
3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119951131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).