3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

C8H11F3N4O — CID 63227915

IUPAC3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4-5(6(12)15-14-4)7(16)13-3-2-8(9,10)11/h2-3H2,1H3,(H,13,16)(H3,12,14,15)
InChIKeyDFWACEFPRLAKLY-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.98
Rot. Bonds3

About 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (PubChem CID 63227915) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
PubChem CID63227915
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4-5(6(12)15-14-4)7(16)13-3-2-8(9,10)11/h2-3H2,1H3,(H,13,16)(H3,12,14,15)
InChIKeyDFWACEFPRLAKLY-UHFFFAOYSA-N
XLogP0.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide 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 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (CID 63227915) is 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NCCC(F)(F)F.
What is the InChIKey of 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DFWACEFPRLAKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4-5(6(12)15-14-4)7(16)13-3-2-8(9,10)11/h2-3H2,1H3,(H,13,16)(H3,12,14,15).
What are the key properties of 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63227915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).