1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine

C9H13F2N3 — CID 167249912

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine
SMILESCNC1(c2ccn(C(F)F)n2)CCC1
InChIInChI=1S/C9H13F2N3/c1-12-9(4-2-5-9)7-3-6-14(13-7)8(10)11/h3,6,8,12H,2,4-5H2,1H3
InChIKeyPBWKHAZUIUWZBD-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.88
Rot. Bonds3

About 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine

1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine (PubChem CID 167249912) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine
PubChem CID167249912
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine
SMILESCNC1(c2ccn(C(F)F)n2)CCC1
InChIInChI=1S/C9H13F2N3/c1-12-9(4-2-5-9)7-3-6-14(13-7)8(10)11/h3,6,8,12H,2,4-5H2,1H3
InChIKeyPBWKHAZUIUWZBD-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine (CID 167249912) is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine is CNC1(c2ccn(C(F)F)n2)CCC1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine?
The InChIKey is PBWKHAZUIUWZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-12-9(4-2-5-9)7-3-6-14(13-7)8(10)11/h3,6,8,12H,2,4-5H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine?
1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclobutan-1-amine is sourced from PubChem (CID 167249912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).