2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine

C16H18F3N3O2 — CID 171115544

IUPAC2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccc(OC(F)(F)F)cc2OCC2CC2)cn1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)24-13-3-4-14(12-8-21-22(9-12)6-5-20)15(7-13)23-10-11-1-2-11/h3-4,7-9,11H,1-2,5-6,10,20H2
InChIKeyISBUIUYGNKPPTL-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.20
Rot. Bonds7

About 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine

2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine (PubChem CID 171115544) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine
PubChem CID171115544
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccc(OC(F)(F)F)cc2OCC2CC2)cn1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)24-13-3-4-14(12-8-21-22(9-12)6-5-20)15(7-13)23-10-11-1-2-11/h3-4,7-9,11H,1-2,5-6,10,20H2
InChIKeyISBUIUYGNKPPTL-UHFFFAOYSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(trifluoromethoxy)benzonitrile
CID 172990967
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
CID 171115591
3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608415
2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164608301
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzaldehyde
CID 172994007
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-(trifluoromethoxy)benzonitrile
CID 172990985
tert-butyl N-[2-[4-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]carbamate
CID 171115701
5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339053
3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride
CID 164608406
1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19103772
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethoxy)aniline
CID 171391053

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine (CID 171115544) is 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine is NCCn1cc(-c2ccc(OC(F)(F)F)cc2OCC2CC2)cn1.
What is the InChIKey of 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine?
The InChIKey is ISBUIUYGNKPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)24-13-3-4-14(12-8-21-22(9-12)6-5-20)15(7-13)23-10-11-1-2-11/h3-4,7-9,11H,1-2,5-6,10,20H2.
What are the key properties of 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine?
2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine has a molecular weight of 341.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 171115544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).