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

C9H13F3N4O2 — CID 65359979

IUPAC4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-15-7(6(13)4-14-15)8(18)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5,13H2,1H3
InChIKeyWSLHNKKLTKTBOI-UHFFFAOYSA-N
MW266.22 g/mol
LogP-0.00
Rot. Bonds4

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

4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 65359979) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID65359979
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-15-7(6(13)4-14-15)8(18)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5,13H2,1H3
InChIKeyWSLHNKKLTKTBOI-UHFFFAOYSA-N
XLogP-0.00
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 65359979) is 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is WSLHNKKLTKTBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-15-7(6(13)4-14-15)8(18)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5,13H2,1H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 266.22 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65359979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).