2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide

C9H16N4O — CID 80683083

IUPAC2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCC(N)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C9H16N4O/c1-7(10)9(14)11-4-3-8-5-12-13(2)6-8/h5-7H,3-4,10H2,1-2H3,(H,11,14)
InChIKeyTZCKSBFQCYNVEL-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.57
Rot. Bonds4

About 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide

2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide (PubChem CID 80683083) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
PubChem CID80683083
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCC(N)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C9H16N4O/c1-7(10)9(14)11-4-3-8-5-12-13(2)6-8/h5-7H,3-4,10H2,1-2H3,(H,11,14)
InChIKeyTZCKSBFQCYNVEL-UHFFFAOYSA-N
XLogP-0.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide (CID 80683083) is 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide is CC(N)C(=O)NCCc1cnn(C)c1.
What is the InChIKey of 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is TZCKSBFQCYNVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(10)9(14)11-4-3-8-5-12-13(2)6-8/h5-7H,3-4,10H2,1-2H3,(H,11,14).
What are the key properties of 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 80683083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).