1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

C19H13Cl2F6N3O — CID 18692533

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCCOc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13Cl2F6N3O/c1-2-31-17-14(9-4-3-5-10(6-9)18(22,23)24)16(28)30(29-17)15-12(20)7-11(8-13(15)21)19(25,26)27/h3-8H,2,28H2,1H3
InChIKeyRYFAYUDJWJCPND-UHFFFAOYSA-N
MW484.23 g/mol
LogP6.86
Rot. Bonds4

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 18692533) has the molecular formula C19H13Cl2F6N3O and a molecular weight of 484.23 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID18692533
Molecular FormulaC19H13Cl2F6N3O
Molecular Weight484.23 g/mol
Exact Mass483.03
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCCOc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13Cl2F6N3O/c1-2-31-17-14(9-4-3-5-10(6-9)18(22,23)24)16(28)30(29-17)15-12(20)7-11(8-13(15)21)19(25,26)27/h3-8H,2,28H2,1H3
InChIKeyRYFAYUDJWJCPND-UHFFFAOYSA-N
XLogP6.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.23
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 18692533) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is CCOc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is RYFAYUDJWJCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F6N3O/c1-2-31-17-14(9-4-3-5-10(6-9)18(22,23)24)16(28)30(29-17)15-12(20)7-11(8-13(15)21)19(25,26)27/h3-8H,2,28H2,1H3.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 484.23 g/mol, XLogP of 6.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 18692533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).