3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide

C15H20N4O — CID 103908798

IUPAC3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
SMILESCC(C)C(NCc1ccn(-c2ccccc2)n1)C(N)=O
InChIInChI=1S/C15H20N4O/c1-11(2)14(15(16)20)17-10-12-8-9-19(18-12)13-6-4-3-5-7-13/h3-9,11,14,17H,10H2,1-2H3,(H2,16,20)
InChIKeyXGHSQKWGSFBJQN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.47
Rot. Bonds6

About 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide

3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide (PubChem CID 103908798) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
PubChem CID103908798
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
SMILESCC(C)C(NCc1ccn(-c2ccccc2)n1)C(N)=O
InChIInChI=1S/C15H20N4O/c1-11(2)14(15(16)20)17-10-12-8-9-19(18-12)13-6-4-3-5-7-13/h3-9,11,14,17H,10H2,1-2H3,(H2,16,20)
InChIKeyXGHSQKWGSFBJQN-UHFFFAOYSA-N
XLogP1.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
2-methyl-3-[(1-phenylpyrazol-3-yl)methylamino]butan-1-ol
CID 115897847
2-phenyl-2-[2-(1-phenylpyrazol-3-yl)ethylamino]acetamide
CID 51107455
3-methyl-2-(pyridin-2-ylmethylamino)butanamide
CID 67707485
2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
CID 62887278
N-[(1-phenylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 106225141
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 65264157
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188
(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97108873
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 79790094

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide?
The IUPAC name of 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide (CID 103908798) is 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide?
The canonical SMILES for 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide is CC(C)C(NCc1ccn(-c2ccccc2)n1)C(N)=O.
What is the InChIKey of 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide?
The InChIKey is XGHSQKWGSFBJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)14(15(16)20)17-10-12-8-9-19(18-12)13-6-4-3-5-7-13/h3-9,11,14,17H,10H2,1-2H3,(H2,16,20).
What are the key properties of 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide?
3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide has a molecular weight of 272.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide is sourced from PubChem (CID 103908798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).