N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine

C8H13F2N3O — CID 130497496

IUPACN-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine
SMILESCOc1cc(NC(C)C(F)F)nn1C
InChIInChI=1S/C8H13F2N3O/c1-5(8(9)10)11-6-4-7(14-3)13(2)12-6/h4-5,8H,1-3H3,(H,11,12)
InChIKeyNVZPKUIACQPTDP-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.49
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine

N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine (PubChem CID 130497496) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine
PubChem CID130497496
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine
SMILESCOc1cc(NC(C)C(F)F)nn1C
InChIInChI=1S/C8H13F2N3O/c1-5(8(9)10)11-6-4-7(14-3)13(2)12-6/h4-5,8H,1-3H3,(H,11,12)
InChIKeyNVZPKUIACQPTDP-UHFFFAOYSA-N
XLogP1.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine (CID 130497496) is N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine is COc1cc(NC(C)C(F)F)nn1C.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine?
The InChIKey is NVZPKUIACQPTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-5(8(9)10)11-6-4-7(14-3)13(2)12-6/h4-5,8H,1-3H3,(H,11,12).
What are the key properties of N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine?
N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine has a molecular weight of 205.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-5-methoxy-1-methylpyrazol-3-amine is sourced from PubChem (CID 130497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).