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

C9H12F3N3O2 — CID 103726335

IUPAC3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-4-7(5(2)15-14-4)8(17)13-3-6(16)9(10,11)12/h6,16H,3H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyZYWRHFACBFLADF-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.68
Rot. Bonds3

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

3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide (PubChem CID 103726335) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
PubChem CID103726335
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-4-7(5(2)15-14-4)8(17)13-3-6(16)9(10,11)12/h6,16H,3H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyZYWRHFACBFLADF-UHFFFAOYSA-N
XLogP0.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide (CID 103726335) is 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZYWRHFACBFLADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-4-7(5(2)15-14-4)8(17)13-3-6(16)9(10,11)12/h6,16H,3H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 251.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103726335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).