N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide

C9H13F2N3O — CID 115617367

IUPACN-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(F)F
InChIInChI=1S/C9H13F2N3O/c1-5-8(6(2)13-12-5)9(15)14(3)4-7(10)11/h7H,4H2,1-3H3,(H,12,13)
InChIKeyVJEQJZLXLHTKJX-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.36
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide

N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide (PubChem CID 115617367) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
PubChem CID115617367
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC NameN-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(F)F
InChIInChI=1S/C9H13F2N3O/c1-5-8(6(2)13-12-5)9(15)14(3)4-7(10)11/h7H,4H2,1-3H3,(H,12,13)
InChIKeyVJEQJZLXLHTKJX-UHFFFAOYSA-N
XLogP1.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide (CID 115617367) is N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is VJEQJZLXLHTKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-5-8(6(2)13-12-5)9(15)14(3)4-7(10)11/h7H,4H2,1-3H3,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 217.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115617367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).