ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate

C19H19F3N6O2 — CID 142388094

IUPACethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILESC=C(C)N(C(=C)C)c1nc2cccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)n2n1
InChIInChI=1S/C19H19F3N6O2/c1-6-30-17(29)13-10-23-28(16(13)19(20,21)22)15-9-7-8-14-24-18(25-27(14)15)26(11(2)3)12(4)5/h7-10H,2,4,6H2,1,3,5H3
InChIKeyDRCQEOKCWYHWJY-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.98
Rot. Bonds6

About ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate

ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate (PubChem CID 142388094) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
PubChem CID142388094
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Nameethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILESC=C(C)N(C(=C)C)c1nc2cccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)n2n1
InChIInChI=1S/C19H19F3N6O2/c1-6-30-17(29)13-10-23-28(16(13)19(20,21)22)15-9-7-8-14-24-18(25-27(14)15)26(11(2)3)12(4)5/h7-10H,2,4,6H2,1,3,5H3
InChIKeyDRCQEOKCWYHWJY-UHFFFAOYSA-N
XLogP3.98
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-(2-methylimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610541
ethyl 1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610378
1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 134610145
ethyl 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54547036
ethyl 1-(5-fluoronaphthalen-1-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610201
ethyl 1-(2-chloro-3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146285378
ethyl 1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146285518
ethyl 1-(3,5-dichloro-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146285471
ethyl 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 3837157
ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 2737215
ethyl 1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 43074523
ethyl 1-(4-formamidophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 168653430

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate (CID 142388094) is ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate is C=C(C)N(C(=C)C)c1nc2cccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)n2n1.
What is the InChIKey of ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate?
The InChIKey is DRCQEOKCWYHWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-6-30-17(29)13-10-23-28(16(13)19(20,21)22)15-9-7-8-14-24-18(25-27(14)15)26(11(2)3)12(4)5/h7-10H,2,4,6H2,1,3,5H3.
What are the key properties of ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate?
ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate has a molecular weight of 420.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[bis(prop-1-en-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 142388094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).