N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C8H10F3N5O2 — CID 143525982

IUPACN-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESNCC(NC(=O)c1cn[nH]c1C(F)(F)F)C(N)=O
InChIInChI=1S/C8H10F3N5O2/c9-8(10,11)5-3(2-14-16-5)7(18)15-4(1-12)6(13)17/h2,4H,1,12H2,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyZOIXJHIOUSRQGM-UHFFFAOYSA-N
MW265.19 g/mol
LogP-1.03
Rot. Bonds4

About N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 143525982) has the molecular formula C8H10F3N5O2 and a molecular weight of 265.19 g/mol. Its IUPAC name is N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID143525982
Molecular FormulaC8H10F3N5O2
Molecular Weight265.19 g/mol
Exact Mass265.08
IUPAC NameN-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESNCC(NC(=O)c1cn[nH]c1C(F)(F)F)C(N)=O
InChIInChI=1S/C8H10F3N5O2/c9-8(10,11)5-3(2-14-16-5)7(18)15-4(1-12)6(13)17/h2,4H,1,12H2,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyZOIXJHIOUSRQGM-UHFFFAOYSA-N
XLogP-1.03
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-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 N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 143525982) is N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is NCC(NC(=O)c1cn[nH]c1C(F)(F)F)C(N)=O.
What is the InChIKey of N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZOIXJHIOUSRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O2/c9-8(10,11)5-3(2-14-16-5)7(18)15-4(1-12)6(13)17/h2,4H,1,12H2,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 265.19 g/mol, XLogP of -1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 143525982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).