3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide

C12H22N4O — CID 114253602

IUPAC3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide
SMILESCc1cc(NC(=O)CC(N)C(C)(C)C)nn1C
InChIInChI=1S/C12H22N4O/c1-8-6-10(15-16(8)5)14-11(17)7-9(13)12(2,3)4/h6,9H,7,13H2,1-5H3,(H,14,15,17)
InChIKeyCVKNTNXLKTXBOF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.43
Rot. Bonds3

About 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide

3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide (PubChem CID 114253602) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide
PubChem CID114253602
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide
SMILESCc1cc(NC(=O)CC(N)C(C)(C)C)nn1C
InChIInChI=1S/C12H22N4O/c1-8-6-10(15-16(8)5)14-11(17)7-9(13)12(2,3)4/h6,9H,7,13H2,1-5H3,(H,14,15,17)
InChIKeyCVKNTNXLKTXBOF-UHFFFAOYSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813276
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523879
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
CID 126982193
2-bromo-N-(1,5-dimethylpyrazol-3-yl)butanamide
CID 130496769
N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 114253835
2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114253532
3-amino-N-(1,5-dimethylpyrazol-3-yl)propanamide;4-[(1,5-dimethylpyrazol-3-yl)amino]-4-oxobutanoic acid;hydrochloride
CID 161136989
N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide
CID 114253600
3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618937

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide (CID 114253602) is 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide is Cc1cc(NC(=O)CC(N)C(C)(C)C)nn1C.
What is the InChIKey of 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide?
The InChIKey is CVKNTNXLKTXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-6-10(15-16(8)5)14-11(17)7-9(13)12(2,3)4/h6,9H,7,13H2,1-5H3,(H,14,15,17).
What are the key properties of 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide?
3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide has a molecular weight of 238.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 114253602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).