2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide

C15H20N4O — CID 62040874

IUPAC2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1[nH]ncc1CCCNC(=O)Cc1ccccc1N
InChIInChI=1S/C15H20N4O/c1-11-13(10-18-19-11)6-4-8-17-15(20)9-12-5-2-3-7-14(12)16/h2-3,5,7,10H,4,6,8-9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyRNASUXZAPGNENS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide

2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (PubChem CID 62040874) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
PubChem CID62040874
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1[nH]ncc1CCCNC(=O)Cc1ccccc1N
InChIInChI=1S/C15H20N4O/c1-11-13(10-18-19-11)6-4-8-17-15(20)9-12-5-2-3-7-14(12)16/h2-3,5,7,10H,4,6,8-9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyRNASUXZAPGNENS-UHFFFAOYSA-N
XLogP1.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.59
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-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 110911683
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 83617756
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507
2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide
CID 62878662
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
3-amino-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-4-oxobutanoic acid
CID 64894782
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62038992

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (CID 62040874) is 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is Cc1[nH]ncc1CCCNC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The InChIKey is RNASUXZAPGNENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-13(10-18-19-11)6-4-8-17-15(20)9-12-5-2-3-7-14(12)16/h2-3,5,7,10H,4,6,8-9,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 62040874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).