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

C9H14F2N4O2 — CID 107482247

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N4O2/c1-5-7(8(12)14-13-5)9(17)15(2-3-16)4-6(10)11/h6,16H,2-4H2,1H3,(H3,12,13,14)
InChIKeyGVOJQIIZPXYUIV-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.00
Rot. Bonds5

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

3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 107482247) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID107482247
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N4O2/c1-5-7(8(12)14-13-5)9(17)15(2-3-16)4-6(10)11/h6,16H,2-4H2,1H3,(H3,12,13,14)
InChIKeyGVOJQIIZPXYUIV-UHFFFAOYSA-N
XLogP-0.00
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 107482247) is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(CCO)CC(F)F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is GVOJQIIZPXYUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c1-5-7(8(12)14-13-5)9(17)15(2-3-16)4-6(10)11/h6,16H,2-4H2,1H3,(H3,12,13,14).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 248.23 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107482247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).