2-(trideuteriomethyl)pyrazole-3-carboxamide

C5H7N3O — CID 175932022

IUPAC2-(trideuteriomethyl)pyrazole-3-carboxamide
SMILES[2H]C([2H])([2H])n1nccc1C(N)=O
InChIInChI=1S/C5H7N3O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3,(H2,6,9)/i1D3
InChIKeyMFMKTVNIVSWSTK-FIBGUPNXSA-N
MW128.15 g/mol
LogP-0.48
Rot. Bonds2

About 2-(trideuteriomethyl)pyrazole-3-carboxamide

2-(trideuteriomethyl)pyrazole-3-carboxamide (PubChem CID 175932022) has the molecular formula C5H7N3O and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-(trideuteriomethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(trideuteriomethyl)pyrazole-3-carboxamide
PubChem CID175932022
Molecular FormulaC5H7N3O
Molecular Weight128.15 g/mol
Exact Mass128.08
IUPAC Name2-(trideuteriomethyl)pyrazole-3-carboxamide
SMILES[2H]C([2H])([2H])n1nccc1C(N)=O
InChIInChI=1S/C5H7N3O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3,(H2,6,9)/i1D3
InChIKeyMFMKTVNIVSWSTK-FIBGUPNXSA-N
XLogP-0.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-carbamoylpyrazol-1-yl)-trimethylazanium
CID 174731038
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
2-(fluoromethyl)pyrazole-3-carboxamide
CID 141169291
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide
CID 151537253
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
3-(5-carbamoylpyrazol-1-yl)propanoic acid
CID 50896470
2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 114972564
fluoro 2-methylpyrazole-3-carboxylate
CID 142292454
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentane-1,3-dione
CID 106758284

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(trideuteriomethyl)pyrazole-3-carboxamide (CID 175932022) is 2-(trideuteriomethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(trideuteriomethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(trideuteriomethyl)pyrazole-3-carboxamide is [2H]C([2H])([2H])n1nccc1C(N)=O.
What is the InChIKey of 2-(trideuteriomethyl)pyrazole-3-carboxamide?
The InChIKey is MFMKTVNIVSWSTK-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H7N3O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3,(H2,6,9)/i1D3.
What are the key properties of 2-(trideuteriomethyl)pyrazole-3-carboxamide?
2-(trideuteriomethyl)pyrazole-3-carboxamide has a molecular weight of 128.15 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 175932022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).