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

C9H13F3N4O2 — CID 107482249

IUPAC3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-5-6(7(13)15-14-5)8(18)16(2-3-17)4-9(10,11)12/h17H,2-4H2,1H3,(H3,13,14,15)
InChIKeyCFGWGPWHHUCVGG-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.30
Rot. Bonds4

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

3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 107482249) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID107482249
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-5-6(7(13)15-14-5)8(18)16(2-3-17)4-9(10,11)12/h17H,2-4H2,1H3,(H3,13,14,15)
InChIKeyCFGWGPWHHUCVGG-UHFFFAOYSA-N
XLogP0.30
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 107482249) is 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CFGWGPWHHUCVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-5-6(7(13)15-14-5)8(18)16(2-3-17)4-9(10,11)12/h17H,2-4H2,1H3,(H3,13,14,15).
What are the key properties of 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107482249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).