3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide

C11H20N4O — CID 104618937

IUPAC3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
SMILESCc1cn[nH]c1NC(=O)CC(N)C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-7-6-13-15-10(7)14-9(16)5-8(12)11(2,3)4/h6,8H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyBUPPCFNJIMNOTR-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide

3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide (PubChem CID 104618937) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
PubChem CID104618937
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
SMILESCc1cn[nH]c1NC(=O)CC(N)C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-7-6-13-15-10(7)14-9(16)5-8(12)11(2,3)4/h6,8H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyBUPPCFNJIMNOTR-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide?
The IUPAC name of 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide (CID 104618937) is 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide.
What is the SMILES notation for 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide?
The canonical SMILES for 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide is Cc1cn[nH]c1NC(=O)CC(N)C(C)(C)C.
What is the InChIKey of 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide?
The InChIKey is BUPPCFNJIMNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7-6-13-15-10(7)14-9(16)5-8(12)11(2,3)4/h6,8H,5,12H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide?
3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide has a molecular weight of 224.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide is sourced from PubChem (CID 104618937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).