N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide

C10H14F3N3O2 — CID 110026431

IUPACN,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-5-8(6(2)15-14-5)9(18)16(3)4-7(17)10(11,12)13/h7,17H,4H2,1-3H3,(H,14,15)
InChIKeyWAHNHIYKFRYQDR-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.02
Rot. Bonds3

About N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide

N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide (PubChem CID 110026431) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
PubChem CID110026431
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-5-8(6(2)15-14-5)9(18)16(3)4-7(17)10(11,12)13/h7,17H,4H2,1-3H3,(H,14,15)
InChIKeyWAHNHIYKFRYQDR-UHFFFAOYSA-N
XLogP1.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-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,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide (CID 110026431) is N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)CC(O)C(F)(F)F.
What is the InChIKey of N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WAHNHIYKFRYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-5-8(6(2)15-14-5)9(18)16(3)4-7(17)10(11,12)13/h7,17H,4H2,1-3H3,(H,14,15).
What are the key properties of N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide?
N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110026431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).