3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide

C14H18N4O — CID 63303724

IUPAC3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCn1nccc1CNC(=O)CCc1ccccc1N
InChIInChI=1S/C14H18N4O/c1-18-12(8-9-17-18)10-16-14(19)7-6-11-4-2-3-5-13(11)15/h2-5,8-9H,6-7,10,15H2,1H3,(H,16,19)
InChIKeyWTMGUPPMYXESKT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.25
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide

3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 63303724) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID63303724
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCn1nccc1CNC(=O)CCc1ccccc1N
InChIInChI=1S/C14H18N4O/c1-18-12(8-9-17-18)10-16-14(19)7-6-11-4-2-3-5-13(11)15/h2-5,8-9H,6-7,10,15H2,1H3,(H,16,19)
InChIKeyWTMGUPPMYXESKT-UHFFFAOYSA-N
XLogP1.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 74247536
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042
3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107273159
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 64678263
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384868
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 63303724) is 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide is Cn1nccc1CNC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is WTMGUPPMYXESKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-12(8-9-17-18)10-16-14(19)7-6-11-4-2-3-5-13(11)15/h2-5,8-9H,6-7,10,15H2,1H3,(H,16,19).
What are the key properties of 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 63303724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).