3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide

C9H11F3N4O2 — CID 70115481

IUPAC3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide
SMILESCNC(=O)c1nn(CCC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C9H11F3N4O2/c1-14-8(18)6-5(7(13)17)4-16(15-6)3-2-9(10,11)12/h4H,2-3H2,1H3,(H2,13,17)(H,14,18)
InChIKeyCWXTXPZHRRYWCT-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.29
Rot. Bonds4

About 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide

3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide (PubChem CID 70115481) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide
PubChem CID70115481
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide
SMILESCNC(=O)c1nn(CCC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C9H11F3N4O2/c1-14-8(18)6-5(7(13)17)4-16(15-6)3-2-9(10,11)12/h4H,2-3H2,1H3,(H2,13,17)(H,14,18)
InChIKeyCWXTXPZHRRYWCT-UHFFFAOYSA-N
XLogP0.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22374064
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
Etipirol
CID 166751
Pyrazole-3,4-dicarboxamide, 1-allyl-N,N'-dimethyl-
CID 202601
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72879541
1-ethyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 177680431
1-methyl-1H-pyrazole-4,5-dicarboxamide
CID 71779722

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide?
The IUPAC name of 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide (CID 70115481) is 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide is CNC(=O)c1nn(CCC(F)(F)F)cc1C(N)=O.
What is the InChIKey of 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide?
The InChIKey is CWXTXPZHRRYWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-14-8(18)6-5(7(13)17)4-16(15-6)3-2-9(10,11)12/h4H,2-3H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide?
3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide has a molecular weight of 264.21 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide is sourced from PubChem (CID 70115481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).