1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine

C7H12FN3 — CID 80694658

IUPAC1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(CCF)c1
InChIInChI=1S/C7H12FN3/c1-9-4-7-5-10-11(6-7)3-2-8/h5-6,9H,2-4H2,1H3
InChIKeyFXYFDEGJGXACSB-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.57
Rot. Bonds4

About 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine

1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 80694658) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID80694658
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(CCF)c1
InChIInChI=1S/C7H12FN3/c1-9-4-7-5-10-11(6-7)3-2-8/h5-6,9H,2-4H2,1H3
InChIKeyFXYFDEGJGXACSB-UHFFFAOYSA-N
XLogP0.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine (CID 80694658) is 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(CCF)c1.
What is the InChIKey of 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is FXYFDEGJGXACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-9-4-7-5-10-11(6-7)3-2-8/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 157.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 80694658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).