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

C13H24N4O — CID 113433621

IUPAC2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H24N4O/c1-8(2)9(7-14)12(18)15-11-6-10(16-17-11)13(3,4)5/h6,8-9H,7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyYJWMJLDKENHYMI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.88
Rot. Bonds4

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

2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide (PubChem CID 113433621) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
PubChem CID113433621
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H24N4O/c1-8(2)9(7-14)12(18)15-11-6-10(16-17-11)13(3,4)5/h6,8-9H,7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyYJWMJLDKENHYMI-UHFFFAOYSA-N
XLogP1.88
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
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
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
(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
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 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide (CID 113433621) is 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide is CC(C)C(CN)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The InChIKey is YJWMJLDKENHYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)9(7-14)12(18)15-11-6-10(16-17-11)13(3,4)5/h6,8-9H,7,14H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide?
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide has a molecular weight of 252.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide is sourced from PubChem (CID 113433621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).