5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine

C10H15F2N3O — CID 167634039

IUPAC5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine
SMILESCOC1CC(n2nc(N)cc2C(C)(F)F)C1
InChIInChI=1S/C10H15F2N3O/c1-10(11,12)8-5-9(13)14-15(8)6-3-7(4-6)16-2/h5-7H,3-4H2,1-2H3,(H2,13,14)
InChIKeyGOYNHPRHJWTTJY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.93
Rot. Bonds3

About 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine

5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine (PubChem CID 167634039) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine
PubChem CID167634039
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine
SMILESCOC1CC(n2nc(N)cc2C(C)(F)F)C1
InChIInChI=1S/C10H15F2N3O/c1-10(11,12)8-5-9(13)14-15(8)6-3-7(4-6)16-2/h5-7H,3-4H2,1-2H3,(H2,13,14)
InChIKeyGOYNHPRHJWTTJY-UHFFFAOYSA-N
XLogP1.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine (CID 167634039) is 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine is COC1CC(n2nc(N)cc2C(C)(F)F)C1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine?
The InChIKey is GOYNHPRHJWTTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-10(11,12)8-5-9(13)14-15(8)6-3-7(4-6)16-2/h5-7H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine?
5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine has a molecular weight of 231.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine is sourced from PubChem (CID 167634039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).