3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide

C23H28N4O — CID 119694415

IUPAC3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C23H28N4O/c1-16(22(24)20-12-8-5-9-13-20)23(28)25-14-21-17(2)26-27(18(21)3)15-19-10-6-4-7-11-19/h4-13,16,22H,14-15,24H2,1-3H3,(H,25,28)
InChIKeyBQORDQQEEZBTSP-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.50
Rot. Bonds7

About 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide

3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide (PubChem CID 119694415) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide
PubChem CID119694415
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C23H28N4O/c1-16(22(24)20-12-8-5-9-13-20)23(28)25-14-21-17(2)26-27(18(21)3)15-19-10-6-4-7-11-19/h4-13,16,22H,14-15,24H2,1-3H3,(H,25,28)
InChIKeyBQORDQQEEZBTSP-UHFFFAOYSA-N
XLogP3.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
(2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 8944360
N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31645970
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24504416
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 51326943
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55467846
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 17448543

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide (CID 119694415) is 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is BQORDQQEEZBTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16(22(24)20-12-8-5-9-13-20)23(28)25-14-21-17(2)26-27(18(21)3)15-19-10-6-4-7-11-19/h4-13,16,22H,14-15,24H2,1-3H3,(H,25,28).
What are the key properties of 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 376.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119694415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).