1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine

C6H9F2N3 — CID 83814748

IUPAC1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(C(F)F)c1
InChIInChI=1S/C6H9F2N3/c1-9-2-5-3-10-11(4-5)6(7)8/h3-4,6,9H,2H2,1H3
InChIKeyGWQAWQUSZREAKN-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.00
Rot. Bonds3

About 1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine

1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 83814748) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID83814748
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(C(F)F)c1
InChIInChI=1S/C6H9F2N3/c1-9-2-5-3-10-11(4-5)6(7)8/h3-4,6,9H,2H2,1H3
InChIKeyGWQAWQUSZREAKN-UHFFFAOYSA-N
XLogP1.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.00
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-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine (CID 83814748) is 1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(C(F)F)c1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is GWQAWQUSZREAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-9-2-5-3-10-11(4-5)6(7)8/h3-4,6,9H,2H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[1-(difluoromethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 161.16 g/mol, XLogP of 1.00, 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-4-yl]-N-methylmethanamine is sourced from PubChem (CID 83814748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).