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

C15H20N4O2 — CID 62040232

IUPAC5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C15H20N4O2/c1-10-11(9-18-19-10)4-3-7-17-15(20)13-8-12(16)5-6-14(13)21-2/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyRXCBYSFSXPHHLS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.67
Rot. Bonds6

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

5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 62040232) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID62040232
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C15H20N4O2/c1-10-11(9-18-19-10)4-3-7-17-15(20)13-8-12(16)5-6-14(13)21-2/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyRXCBYSFSXPHHLS-UHFFFAOYSA-N
XLogP1.67
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 81094396
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 114922479
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
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
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
5-amino-2-bromo-4-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62815798
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736054

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 62040232) is 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is COc1ccc(N)cc1C(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is RXCBYSFSXPHHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-11(9-18-19-10)4-3-7-17-15(20)13-8-12(16)5-6-14(13)21-2/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 62040232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).