N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C11H16F3N3O2 — CID 107483380

IUPACN-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7-9(8(2)16(3)15-7)10(19)17(4-5-18)6-11(12,13)14/h18H,4-6H2,1-3H3
InChIKeyALDYMANWWMAJOE-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.03
Rot. Bonds4

About N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 107483380) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID107483380
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7-9(8(2)16(3)15-7)10(19)17(4-5-18)6-11(12,13)14/h18H,4-6H2,1-3H3
InChIKeyALDYMANWWMAJOE-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 107483380) is N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is ALDYMANWWMAJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7-9(8(2)16(3)15-7)10(19)17(4-5-18)6-11(12,13)14/h18H,4-6H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 279.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 107483380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).