3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine

C12H13F2N3O — CID 66875898

IUPAC3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(C(C)(F)F)cc2N)cc1
InChIInChI=1S/C12H13F2N3O/c1-12(13,14)10-7-11(15)17(16-10)8-3-5-9(18-2)6-4-8/h3-7H,15H2,1-2H3
InChIKeyQQSJHNURPCOAMY-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.57
Rot. Bonds3

About 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine

3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine (PubChem CID 66875898) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine
PubChem CID66875898
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(C(C)(F)F)cc2N)cc1
InChIInChI=1S/C12H13F2N3O/c1-12(13,14)10-7-11(15)17(16-10)8-3-5-9(18-2)6-4-8/h3-7H,15H2,1-2H3
InChIKeyQQSJHNURPCOAMY-UHFFFAOYSA-N
XLogP2.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine (CID 66875898) is 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine is COc1ccc(-n2nc(C(C)(F)F)cc2N)cc1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The InChIKey is QQSJHNURPCOAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-12(13,14)10-7-11(15)17(16-10)8-3-5-9(18-2)6-4-8/h3-7H,15H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine?
3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine has a molecular weight of 253.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-(4-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 66875898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).