2-amino-3-(4-methoxypyrazol-1-yl)butanamide

C8H14N4O2 — CID 165485425

IUPAC2-amino-3-(4-methoxypyrazol-1-yl)butanamide
SMILESCOc1cnn(C(C)C(N)C(N)=O)c1
InChIInChI=1S/C8H14N4O2/c1-5(7(9)8(10)13)12-4-6(14-2)3-11-12/h3-5,7H,9H2,1-2H3,(H2,10,13)
InChIKeyVVNMPNAOEKNQST-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.73
Rot. Bonds4

About 2-amino-3-(4-methoxypyrazol-1-yl)butanamide

2-amino-3-(4-methoxypyrazol-1-yl)butanamide (PubChem CID 165485425) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-3-(4-methoxypyrazol-1-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-(4-methoxypyrazol-1-yl)butanamide
PubChem CID165485425
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-amino-3-(4-methoxypyrazol-1-yl)butanamide
SMILESCOc1cnn(C(C)C(N)C(N)=O)c1
InChIInChI=1S/C8H14N4O2/c1-5(7(9)8(10)13)12-4-6(14-2)3-11-12/h3-5,7H,9H2,1-2H3,(H2,10,13)
InChIKeyVVNMPNAOEKNQST-UHFFFAOYSA-N
XLogP-0.73
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxypyrazol-1-yl)butanamide?
The IUPAC name of 2-amino-3-(4-methoxypyrazol-1-yl)butanamide (CID 165485425) is 2-amino-3-(4-methoxypyrazol-1-yl)butanamide.
What is the SMILES notation for 2-amino-3-(4-methoxypyrazol-1-yl)butanamide?
The canonical SMILES for 2-amino-3-(4-methoxypyrazol-1-yl)butanamide is COc1cnn(C(C)C(N)C(N)=O)c1.
What is the InChIKey of 2-amino-3-(4-methoxypyrazol-1-yl)butanamide?
The InChIKey is VVNMPNAOEKNQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(7(9)8(10)13)12-4-6(14-2)3-11-12/h3-5,7H,9H2,1-2H3,(H2,10,13).
What are the key properties of 2-amino-3-(4-methoxypyrazol-1-yl)butanamide?
2-amino-3-(4-methoxypyrazol-1-yl)butanamide has a molecular weight of 198.23 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxypyrazol-1-yl)butanamide is sourced from PubChem (CID 165485425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).