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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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 5330972
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 47466494
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
CID 71459241
3-N-(5-ethyl-1H-pyrazol-3-yl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 72001154
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methoxypropanamide
CID 72126640
N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 2819087
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 47404991
1-cyano-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
CID 72126637
4-methyl-N-[2-oxo-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pentanamide
CID 72147396
4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide
CID 75374688
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
CID 75514181
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 91632001

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).