1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine

C14H16F3N3 — CID 177142047

IUPAC1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(CNC)cc1
InChIInChI=1S/C14H16F3N3/c1-3-20-12(8-13(19-20)14(15,16)17)11-6-4-10(5-7-11)9-18-2/h4-8,18H,3,9H2,1-2H3
InChIKeyJWBOQQTYIXSNTK-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.31
Rot. Bonds4

About 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine

1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine (PubChem CID 177142047) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine
PubChem CID177142047
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(CNC)cc1
InChIInChI=1S/C14H16F3N3/c1-3-20-12(8-13(19-20)14(15,16)17)11-6-4-10(5-7-11)9-18-2/h4-8,18H,3,9H2,1-2H3
InChIKeyJWBOQQTYIXSNTK-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine (CID 177142047) is 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine is CCn1nc(C(F)(F)F)cc1-c1ccc(CNC)cc1.
What is the InChIKey of 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is JWBOQQTYIXSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-20-12(8-13(19-20)14(15,16)17)11-6-4-10(5-7-11)9-18-2/h4-8,18H,3,9H2,1-2H3.
What are the key properties of 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine?
1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 177142047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).