2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C14H18N4O — CID 61459501

IUPAC2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCc1cccc(N)c1C(=O)NC(C)Cn1cccn1
InChIInChI=1S/C14H18N4O/c1-10-5-3-6-12(15)13(10)14(19)17-11(2)9-18-8-4-7-16-18/h3-8,11H,9,15H2,1-2H3,(H,17,19)
InChIKeyGOZVTPGBCNMBIH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.59
Rot. Bonds4

About 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 61459501) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID61459501
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCc1cccc(N)c1C(=O)NC(C)Cn1cccn1
InChIInChI=1S/C14H18N4O/c1-10-5-3-6-12(15)13(10)14(19)17-11(2)9-18-8-4-7-16-18/h3-8,11H,9,15H2,1-2H3,(H,17,19)
InChIKeyGOZVTPGBCNMBIH-UHFFFAOYSA-N
XLogP1.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.59
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-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38611766
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)furan-2-carboxamide
CID 51079611
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 61112835
5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617127

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 61459501) is 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is Cc1cccc(N)c1C(=O)NC(C)Cn1cccn1.
What is the InChIKey of 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is GOZVTPGBCNMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-3-6-12(15)13(10)14(19)17-11(2)9-18-8-4-7-16-18/h3-8,11H,9,15H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61459501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).