4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C7H9F3N4O — CID 62080868

IUPAC4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(F)(F)F)c1N
InChIInChI=1S/C7H9F3N4O/c1-3-4(11)5(14-13-3)6(15)12-2-7(8,9)10/h2,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyGSTPDDHSIOENHG-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.59
Rot. Bonds2

About 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62080868) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62080868
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(F)(F)F)c1N
InChIInChI=1S/C7H9F3N4O/c1-3-4(11)5(14-13-3)6(15)12-2-7(8,9)10/h2,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyGSTPDDHSIOENHG-UHFFFAOYSA-N
XLogP0.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62080868) is 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC(F)(F)F)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GSTPDDHSIOENHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-3-4(11)5(14-13-3)6(15)12-2-7(8,9)10/h2,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 222.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).