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

C11H20N4O — CID 104618270

IUPAC3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
SMILESCCCc1cc(NC(=O)CC(C)(C)N)n[nH]1
InChIInChI=1S/C11H20N4O/c1-4-5-8-6-9(15-14-8)13-10(16)7-11(2,3)12/h6H,4-5,7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyXIWRJWWRMWRCDH-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.43
Rot. Bonds5

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

3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide (PubChem CID 104618270) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
PubChem CID104618270
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
SMILESCCCc1cc(NC(=O)CC(C)(C)N)n[nH]1
InChIInChI=1S/C11H20N4O/c1-4-5-8-6-9(15-14-8)13-10(16)7-11(2,3)12/h6H,4-5,7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyXIWRJWWRMWRCDH-UHFFFAOYSA-N
XLogP1.43
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 64678472
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
2-(aminomethyl)-2-ethyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 113433572
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
2-(1-aminocyclopentyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433565

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide (CID 104618270) is 3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide is CCCc1cc(NC(=O)CC(C)(C)N)n[nH]1.
What is the InChIKey of 3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is XIWRJWWRMWRCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-8-6-9(15-14-8)13-10(16)7-11(2,3)12/h6H,4-5,7,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide?
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 224.31 g/mol, XLogP of 1.43, 5 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-propyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 104618270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).