N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine

C17H17F3N4 — CID 133444826

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCCc1nn(C)cc1CNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H17F3N4/c1-3-14-11(10-24(2)23-14)9-22-15-6-7-21-16-8-12(17(18,19)20)4-5-13(15)16/h4-8,10H,3,9H2,1-2H3,(H,21,22)
InChIKeyBLHDAWSRVHBWEI-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.16
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133444826) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133444826
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCCc1nn(C)cc1CNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H17F3N4/c1-3-14-11(10-24(2)23-14)9-22-15-6-7-21-16-8-12(17(18,19)20)4-5-13(15)16/h4-8,10H,3,9H2,1-2H3,(H,21,22)
InChIKeyBLHDAWSRVHBWEI-UHFFFAOYSA-N
XLogP4.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine (CID 133444826) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine is CCc1nn(C)cc1CNc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is BLHDAWSRVHBWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4/c1-3-14-11(10-24(2)23-14)9-22-15-6-7-21-16-8-12(17(18,19)20)4-5-13(15)16/h4-8,10H,3,9H2,1-2H3,(H,21,22).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 334.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133444826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).