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

C10H15F3N4O2 — CID 65357171

IUPAC4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H15F3N4O2/c1-2-17-8(7(14)5-15-17)9(19)16(3-4-18)6-10(11,12)13/h5,18H,2-4,6,14H2,1H3
InChIKeyCANCSYRPZXYFLT-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.48
Rot. Bonds5

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

4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 65357171) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID65357171
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H15F3N4O2/c1-2-17-8(7(14)5-15-17)9(19)16(3-4-18)6-10(11,12)13/h5,18H,2-4,6,14H2,1H3
InChIKeyCANCSYRPZXYFLT-UHFFFAOYSA-N
XLogP0.48
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 65357171) is 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is CANCSYRPZXYFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-2-17-8(7(14)5-15-17)9(19)16(3-4-18)6-10(11,12)13/h5,18H,2-4,6,14H2,1H3.
What are the key properties of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65357171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).