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

C8H12F2N4O2 — CID 107482246

IUPAC5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H12F2N4O2/c9-6(10)4-14(1-2-15)8(16)5-3-12-13-7(5)11/h3,6,15H,1-2,4H2,(H3,11,12,13)
InChIKeyAFJHEIANGGDIIO-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.31
Rot. Bonds5

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

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide (PubChem CID 107482246) has the molecular formula C8H12F2N4O2 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
PubChem CID107482246
Molecular FormulaC8H12F2N4O2
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H12F2N4O2/c9-6(10)4-14(1-2-15)8(16)5-3-12-13-7(5)11/h3,6,15H,1-2,4H2,(H3,11,12,13)
InChIKeyAFJHEIANGGDIIO-UHFFFAOYSA-N
XLogP-0.31
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide (CID 107482246) is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AFJHEIANGGDIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O2/c9-6(10)4-14(1-2-15)8(16)5-3-12-13-7(5)11/h3,6,15H,1-2,4H2,(H3,11,12,13).
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 234.21 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107482246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).