2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide

C15H20N4O — CID 79804775

IUPAC2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-3-15(2,16)14(20)18-13-7-5-12(6-8-13)11-19-10-4-9-17-19/h4-10H,3,11,16H2,1-2H3,(H,18,20)
InChIKeyVZVVQJHKBRUIRT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.00
Rot. Bonds5

About 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide

2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide (PubChem CID 79804775) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
PubChem CID79804775
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-3-15(2,16)14(20)18-13-7-5-12(6-8-13)11-19-10-4-9-17-19/h4-10H,3,11,16H2,1-2H3,(H,18,20)
InChIKeyVZVVQJHKBRUIRT-UHFFFAOYSA-N
XLogP2.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 60847179
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111474317
5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 60933639

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide (CID 79804775) is 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide is CCC(C)(N)C(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide?
The InChIKey is VZVVQJHKBRUIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-15(2,16)14(20)18-13-7-5-12(6-8-13)11-19-10-4-9-17-19/h4-10H,3,11,16H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide?
2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 79804775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).