4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide

C8H11F3N4O — CID 70115891

IUPAC4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(N)cnn1C)C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4(8(9,10)11)14-7(16)6-5(12)3-13-15(6)2/h3-4H,12H2,1-2H3,(H,14,16)
InChIKeyYINGZIRLTHBBSH-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.68
Rot. Bonds2

About 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide

4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide (PubChem CID 70115891) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
PubChem CID70115891
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(N)cnn1C)C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4(8(9,10)11)14-7(16)6-5(12)3-13-15(6)2/h3-4H,12H2,1-2H3,(H,14,16)
InChIKeyYINGZIRLTHBBSH-UHFFFAOYSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide (CID 70115891) is 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide is CC(NC(=O)c1c(N)cnn1C)C(F)(F)F.
What is the InChIKey of 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide?
The InChIKey is YINGZIRLTHBBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4(8(9,10)11)14-7(16)6-5(12)3-13-15(6)2/h3-4H,12H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide?
4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 70115891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).