3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide

C9H16N4O — CID 64678472

IUPAC3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)(C)N)n[nH]1
InChIInChI=1S/C9H16N4O/c1-6-4-7(13-12-6)11-8(14)5-9(2,3)10/h4H,5,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyPUZFZLFSMJEANN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide

3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide (PubChem CID 64678472) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
PubChem CID64678472
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)(C)N)n[nH]1
InChIInChI=1S/C9H16N4O/c1-6-4-7(13-12-6)11-8(14)5-9(2,3)10/h4H,5,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyPUZFZLFSMJEANN-UHFFFAOYSA-N
XLogP0.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 104618270
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide
CID 83618200
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
CID 60974660
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 82668146
2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate
CID 65173902
N-(5-methyl-1H-pyrazol-3-yl)nonanamide
CID 47289748
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 103155915

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide (CID 64678472) is 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide is Cc1cc(NC(=O)CC(C)(C)N)n[nH]1.
What is the InChIKey of 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is PUZFZLFSMJEANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-4-7(13-12-6)11-8(14)5-9(2,3)10/h4H,5,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 64678472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).