2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide

C11H20N4O — CID 43663604

IUPAC2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide
SMILESCc1[nH]ncc1CNCCNC(=O)C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)11(16)13-5-4-12-6-10-7-14-15-9(10)3/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyJCZSGZFREWLYNS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.58
Rot. Bonds6

About 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide

2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide (PubChem CID 43663604) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide
PubChem CID43663604
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide
SMILESCc1[nH]ncc1CNCCNC(=O)C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)11(16)13-5-4-12-6-10-7-14-15-9(10)3/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyJCZSGZFREWLYNS-UHFFFAOYSA-N
XLogP0.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide (CID 43663604) is 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide is Cc1[nH]ncc1CNCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide?
The InChIKey is JCZSGZFREWLYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)11(16)13-5-4-12-6-10-7-14-15-9(10)3/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide?
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]propanamide is sourced from PubChem (CID 43663604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).