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

C10H15F2N3O2 — CID 107483893

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N3O2/c1-6-9(7(2)14-13-6)10(17)15(3-4-16)5-8(11)12/h8,16H,3-5H2,1-2H3,(H,13,14)
InChIKeyMMXGHVDDQGCBAY-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.73
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 107483893) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID107483893
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N3O2/c1-6-9(7(2)14-13-6)10(17)15(3-4-16)5-8(11)12/h8,16H,3-5H2,1-2H3,(H,13,14)
InChIKeyMMXGHVDDQGCBAY-UHFFFAOYSA-N
XLogP0.73
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 107483893) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is MMXGHVDDQGCBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-6-9(7(2)14-13-6)10(17)15(3-4-16)5-8(11)12/h8,16H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 247.24 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107483893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).