4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide

C9H14F2N4O — CID 132586712

IUPAC4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(N)cnn1CC(F)F
InChIInChI=1S/C9H14F2N4O/c1-2-3-13-9(16)8-6(12)4-14-15(8)5-7(10)11/h4,7H,2-3,5,12H2,1H3,(H,13,16)
InChIKeyQRAVPLZPDDQKCA-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.87
Rot. Bonds5

About 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide

4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide (PubChem CID 132586712) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide
PubChem CID132586712
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(N)cnn1CC(F)F
InChIInChI=1S/C9H14F2N4O/c1-2-3-13-9(16)8-6(12)4-14-15(8)5-7(10)11/h4,7H,2-3,5,12H2,1H3,(H,13,16)
InChIKeyQRAVPLZPDDQKCA-UHFFFAOYSA-N
XLogP0.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide (CID 132586712) is 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(N)cnn1CC(F)F.
What is the InChIKey of 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide?
The InChIKey is QRAVPLZPDDQKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-2-3-13-9(16)8-6(12)4-14-15(8)5-7(10)11/h4,7H,2-3,5,12H2,1H3,(H,13,16).
What are the key properties of 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide?
4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide has a molecular weight of 232.23 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-difluoroethyl)-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 132586712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).