2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide

C8H10F3N3O — CID 160965894

IUPAC2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1ccnn1C)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(8(9,10)11)13-7(15)6-3-4-12-14(6)2/h3-5H,1-2H3,(H,13,15)/t5-/m0/s1
InChIKeySXPQBZJQPKEQSF-YFKPBYRVSA-N
MW221.18 g/mol
LogP1.10
Rot. Bonds2

About 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide

2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide (PubChem CID 160965894) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide
PubChem CID160965894
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1ccnn1C)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(8(9,10)11)13-7(15)6-3-4-12-14(6)2/h3-5H,1-2H3,(H,13,15)/t5-/m0/s1
InChIKeySXPQBZJQPKEQSF-YFKPBYRVSA-N
XLogP1.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide (CID 160965894) is 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide is C[C@H](NC(=O)c1ccnn1C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is SXPQBZJQPKEQSF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(8(9,10)11)13-7(15)6-3-4-12-14(6)2/h3-5H,1-2H3,(H,13,15)/t5-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 160965894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).