2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide

C14H18N4O — CID 102805572

IUPAC2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide
SMILESCc1nn(C)cc1NC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-10-12(9-18(3)17-10)16-13(19)14(2,15)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3,(H,16,19)
InChIKeyXKCVQDLNGDGFPX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide

2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide (PubChem CID 102805572) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide
PubChem CID102805572
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide
SMILESCc1nn(C)cc1NC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-10-12(9-18(3)17-10)16-13(19)14(2,15)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3,(H,16,19)
InChIKeyXKCVQDLNGDGFPX-UHFFFAOYSA-N
XLogP1.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
CID 62488219
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
2-amino-N-(2,3-difluorophenyl)-2-phenylpropanamide
CID 62488948
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid
CID 102806931
2-amino-N-(2,4-dibromophenyl)-2-phenylpropanamide
CID 62488230
2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide
CID 120597117
2-amino-N-(4-methoxy-2-methylphenyl)-2-phenylpropanamide
CID 62870992
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
2-amino-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62902672

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide (CID 102805572) is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide is Cc1nn(C)cc1NC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide?
The InChIKey is XKCVQDLNGDGFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-12(9-18(3)17-10)16-13(19)14(2,15)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3,(H,16,19).
What are the key properties of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide?
2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide is sourced from PubChem (CID 102805572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).