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

C11H20N4O — CID 104618640

IUPAC3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H20N4O/c1-7(6-12)10(16)13-9-5-8(14-15-9)11(2,3)4/h5,7H,6,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyMIOJKMSKFIOVRY-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.24
Rot. Bonds3

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

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide (PubChem CID 104618640) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
PubChem CID104618640
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H20N4O/c1-7(6-12)10(16)13-9-5-8(14-15-9)11(2,3)4/h5,7H,6,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyMIOJKMSKFIOVRY-UHFFFAOYSA-N
XLogP1.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433621
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
CID 104618654
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 82110660
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
CID 112686898
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide
CID 112639590
(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 95294416
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide (CID 104618640) is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide is CC(CN)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-methylpropanamide?
The InChIKey is MIOJKMSKFIOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(6-12)10(16)13-9-5-8(14-15-9)11(2,3)4/h5,7H,6,12H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide?
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide has a molecular weight of 224.31 g/mol, XLogP of 1.24, 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-methylpropanamide is sourced from PubChem (CID 104618640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).