3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol

C10H17F2N3O — CID 103894016

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCCc1nn(C)cc1CNCC(O)C(F)F
InChIInChI=1S/C10H17F2N3O/c1-3-8-7(6-15(2)14-8)4-13-5-9(16)10(11)12/h6,9-10,13,16H,3-5H2,1-2H3
InChIKeyUAXIFNRBYSZVAU-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.70
Rot. Bonds6

About 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol

3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103894016) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103894016
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCCc1nn(C)cc1CNCC(O)C(F)F
InChIInChI=1S/C10H17F2N3O/c1-3-8-7(6-15(2)14-8)4-13-5-9(16)10(11)12/h6,9-10,13,16H,3-5H2,1-2H3
InChIKeyUAXIFNRBYSZVAU-UHFFFAOYSA-N
XLogP0.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103894016) is 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is CCc1nn(C)cc1CNCC(O)C(F)F.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is UAXIFNRBYSZVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-3-8-7(6-15(2)14-8)4-13-5-9(16)10(11)12/h6,9-10,13,16H,3-5H2,1-2H3.
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 233.26 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103894016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).