3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide

C12H22N4O — CID 104618654

IUPAC3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H22N4O/c1-7(8(2)13)11(17)14-10-6-9(15-16-10)12(3,4)5/h6-8H,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyNZIJOYPITNQLPV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide (PubChem CID 104618654) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
PubChem CID104618654
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H22N4O/c1-7(8(2)13)11(17)14-10-6-9(15-16-10)12(3,4)5/h6-8H,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyNZIJOYPITNQLPV-UHFFFAOYSA-N
XLogP1.63
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide (CID 104618654) is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide is CC(N)C(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide?
The InChIKey is NZIJOYPITNQLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(8(2)13)11(17)14-10-6-9(15-16-10)12(3,4)5/h6-8H,13H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide?
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide is sourced from PubChem (CID 104618654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).