3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide

C12H14F2N6O — CID 172503414

IUPAC3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide
SMILESCc1nn(C[C@@H](F)CF)cc1Nc1nccnc1C(N)=O
InChIInChI=1S/C12H14F2N6O/c1-7-9(6-20(19-7)5-8(14)4-13)18-12-10(11(15)21)16-2-3-17-12/h2-3,6,8H,4-5H2,1H3,(H2,15,21)(H,17,18)/t8-/m0/s1
InChIKeySUPPZHZUGCSVOA-QMMMGPOBSA-N
MW296.28 g/mol
LogP1.13
Rot. Bonds6

About 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide

3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide (PubChem CID 172503414) has the molecular formula C12H14F2N6O and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide
PubChem CID172503414
Molecular FormulaC12H14F2N6O
Molecular Weight296.28 g/mol
Exact Mass296.12
IUPAC Name3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide
SMILESCc1nn(C[C@@H](F)CF)cc1Nc1nccnc1C(N)=O
InChIInChI=1S/C12H14F2N6O/c1-7-9(6-20(19-7)5-8(14)4-13)18-12-10(11(15)21)16-2-3-17-12/h2-3,6,8H,4-5H2,1H3,(H2,15,21)(H,17,18)/t8-/m0/s1
InChIKeySUPPZHZUGCSVOA-QMMMGPOBSA-N
XLogP1.13
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide (CID 172503414) is 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide is Cc1nn(C[C@@H](F)CF)cc1Nc1nccnc1C(N)=O.
What is the InChIKey of 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide?
The InChIKey is SUPPZHZUGCSVOA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14F2N6O/c1-7-9(6-20(19-7)5-8(14)4-13)18-12-10(11(15)21)16-2-3-17-12/h2-3,6,8H,4-5H2,1H3,(H2,15,21)(H,17,18)/t8-/m0/s1.
What are the key properties of 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide?
3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2R)-2,3-difluoropropyl]-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 172503414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).