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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Related Compounds

1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 70851896
N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 62441950
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141
2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole
CID 58200603
1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
CID 121210709
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 71603595
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole
CID 58200577
N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209734
[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 21090692
N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 105406249
4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide
CID 174870339

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).