N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide

C12H12F2N4O — CID 58270489

IUPACN-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(F)(F)CNC(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H12F2N4O/c1-12(13,14)8-16-11(19)9-5-17-18(7-9)10-3-2-4-15-6-10/h2-7H,8H2,1H3,(H,16,19)
InChIKeyFOCQUTVYEJCRHB-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.65
Rot. Bonds4

About N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide

N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 58270489) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID58270489
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC NameN-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(F)(F)CNC(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H12F2N4O/c1-12(13,14)8-16-11(19)9-5-17-18(7-9)10-3-2-4-15-6-10/h2-7H,8H2,1H3,(H,16,19)
InChIKeyFOCQUTVYEJCRHB-UHFFFAOYSA-N
XLogP1.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide (CID 58270489) is N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide is CC(F)(F)CNC(=O)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is FOCQUTVYEJCRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-12(13,14)8-16-11(19)9-5-17-18(7-9)10-3-2-4-15-6-10/h2-7H,8H2,1H3,(H,16,19).
What are the key properties of N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 58270489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).