2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide

C11H20N4O — CID 61021917

IUPAC2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C11H20N4O/c1-4-7(2)10(12)11(16)13-5-9-6-14-15-8(9)3/h6-7,10H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyBGWSJJQJYQOSJE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.71
Rot. Bonds5

About 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide

2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide (PubChem CID 61021917) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
PubChem CID61021917
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C11H20N4O/c1-4-7(2)10(12)11(16)13-5-9-6-14-15-8(9)3/h6-7,10H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyBGWSJJQJYQOSJE-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide (CID 61021917) is 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide is CCC(C)C(N)C(=O)NCc1cn[nH]c1C.
What is the InChIKey of 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The InChIKey is BGWSJJQJYQOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-7(2)10(12)11(16)13-5-9-6-14-15-8(9)3/h6-7,10H,4-5,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 61021917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).