N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide

C11H17F2N3O2 — CID 107482667

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H17F2N3O2/c1-7-10(8(2)15(3)14-7)11(18)16(4-5-17)6-9(12)13/h9,17H,4-6H2,1-3H3
InChIKeyIHAAKKCJAZGGCR-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.74
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 107482667) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID107482667
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H17F2N3O2/c1-7-10(8(2)15(3)14-7)11(18)16(4-5-17)6-9(12)13/h9,17H,4-6H2,1-3H3
InChIKeyIHAAKKCJAZGGCR-UHFFFAOYSA-N
XLogP0.74
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 107482667) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is IHAAKKCJAZGGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-7-10(8(2)15(3)14-7)11(18)16(4-5-17)6-9(12)13/h9,17H,4-6H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 261.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 107482667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).