2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide

C13H22N4O — CID 63919904

IUPAC2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCCc1c(C)nn(CC(N)(C(N)=O)C2CC2)c1C
InChIInChI=1S/C13H22N4O/c1-4-11-8(2)16-17(9(11)3)7-13(15,12(14)18)10-5-6-10/h10H,4-7,15H2,1-3H3,(H2,14,18)
InChIKeyCYKGYIHFEVPAMF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.66
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide

2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 63919904) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID63919904
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCCc1c(C)nn(CC(N)(C(N)=O)C2CC2)c1C
InChIInChI=1S/C13H22N4O/c1-4-11-8(2)16-17(9(11)3)7-13(15,12(14)18)10-5-6-10/h10H,4-7,15H2,1-3H3,(H2,14,18)
InChIKeyCYKGYIHFEVPAMF-UHFFFAOYSA-N
XLogP0.66
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide (CID 63919904) is 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide is CCc1c(C)nn(CC(N)(C(N)=O)C2CC2)c1C.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is CYKGYIHFEVPAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-11-8(2)16-17(9(11)3)7-13(15,12(14)18)10-5-6-10/h10H,4-7,15H2,1-3H3,(H2,14,18).
What are the key properties of 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide?
2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 63919904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).