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

C8H12F2N4O — CID 154842168

IUPAC2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)C(C)N
InChIInChI=1S/C8H12F2N4O/c1-3(11)8(15)12-5-4(2)13-14-6(5)7(9)10/h3,7H,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyWHHXEGFVRSIRMM-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.94
Rot. Bonds3

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

2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide (PubChem CID 154842168) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide
PubChem CID154842168
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)C(C)N
InChIInChI=1S/C8H12F2N4O/c1-3(11)8(15)12-5-4(2)13-14-6(5)7(9)10/h3,7H,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyWHHXEGFVRSIRMM-UHFFFAOYSA-N
XLogP0.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide?
The IUPAC name of 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide (CID 154842168) is 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide is Cc1[nH]nc(C(F)F)c1NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide?
The InChIKey is WHHXEGFVRSIRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-3(11)8(15)12-5-4(2)13-14-6(5)7(9)10/h3,7H,11H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide?
2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide has a molecular weight of 218.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 154842168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).