3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide

C13H24N4O — CID 114252199

IUPAC3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
SMILESCC(C)n1ccc(NC(=O)C(C)(C)C(C)(C)N)n1
InChIInChI=1S/C13H24N4O/c1-9(2)17-8-7-10(16-17)15-11(18)12(3,4)13(5,6)14/h7-9H,14H2,1-6H3,(H,15,16,18)
InChIKeyUGXWMVDKOKXENV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.17
Rot. Bonds4

About 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide

3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide (PubChem CID 114252199) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
PubChem CID114252199
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
SMILESCC(C)n1ccc(NC(=O)C(C)(C)C(C)(C)N)n1
InChIInChI=1S/C13H24N4O/c1-9(2)17-8-7-10(16-17)15-11(18)12(3,4)13(5,6)14/h7-9H,14H2,1-6H3,(H,15,16,18)
InChIKeyUGXWMVDKOKXENV-UHFFFAOYSA-N
XLogP2.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 114251131
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 130495798
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide
CID 114251336
2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 114115113
1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 130496246
4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
CID 146129104
(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
CID 114251144
N,1-di(propan-2-yl)pyrazol-3-amine
CID 130477356
1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea
CID 136539460
2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114094335

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide (CID 114252199) is 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide is CC(C)n1ccc(NC(=O)C(C)(C)C(C)(C)N)n1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide?
The InChIKey is UGXWMVDKOKXENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)17-8-7-10(16-17)15-11(18)12(3,4)13(5,6)14/h7-9H,14H2,1-6H3,(H,15,16,18).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide?
3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide has a molecular weight of 252.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide is sourced from PubChem (CID 114252199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).