1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine

C10H17F2N3O — CID 115921017

IUPAC1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine
SMILESCOC(C)C(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3O/c1-7(8(2)16-3)13-10-4-5-15(14-10)6-9(11)12/h4-5,7-9H,6H2,1-3H3,(H,13,14)
InChIKeyOILOJMRJPQJXNH-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.98
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine

1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine (PubChem CID 115921017) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine
PubChem CID115921017
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine
SMILESCOC(C)C(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3O/c1-7(8(2)16-3)13-10-4-5-15(14-10)6-9(11)12/h4-5,7-9H,6H2,1-3H3,(H,13,14)
InChIKeyOILOJMRJPQJXNH-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine (CID 115921017) is 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine is COC(C)C(C)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine?
The InChIKey is OILOJMRJPQJXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-7(8(2)16-3)13-10-4-5-15(14-10)6-9(11)12/h4-5,7-9H,6H2,1-3H3,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine has a molecular weight of 233.26 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 115921017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).