1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline

C19H17F6N5 — CID 162601554

IUPAC1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline
SMILESC=Cc1c(C(F)(F)F)nn2c(N3CCN(C)CC3)nc3ccc(C(F)(F)F)cc3c12
InChIInChI=1S/C19H17F6N5/c1-3-12-15-13-10-11(18(20,21)22)4-5-14(13)26-17(29-8-6-28(2)7-9-29)30(15)27-16(12)19(23,24)25/h3-5,10H,1,6-9H2,2H3
InChIKeyGLRJMWFDZNGYAC-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.31
Rot. Bonds2

About 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline

1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline (PubChem CID 162601554) has the molecular formula C19H17F6N5 and a molecular weight of 429.37 g/mol. Its IUPAC name is 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline
PubChem CID162601554
Molecular FormulaC19H17F6N5
Molecular Weight429.37 g/mol
Exact Mass429.14
IUPAC Name1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline
SMILESC=Cc1c(C(F)(F)F)nn2c(N3CCN(C)CC3)nc3ccc(C(F)(F)F)cc3c12
InChIInChI=1S/C19H17F6N5/c1-3-12-15-13-10-11(18(20,21)22)4-5-14(13)26-17(29-8-6-28(2)7-9-29)30(15)27-16(12)19(23,24)25/h3-5,10H,1,6-9H2,2H3
InChIKeyGLRJMWFDZNGYAC-UHFFFAOYSA-N
XLogP4.31
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline with MolForge

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Related Compounds

4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine
CID 91157741
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161
1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 140574337
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole
CID 91474123
3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline
CID 162414555
9-bromo-5-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 58476063
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline
CID 143957660
6-methoxy-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline-3-carbonitrile
CID 135272132

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline?
The IUPAC name of 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline (CID 162601554) is 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline is C=Cc1c(C(F)(F)F)nn2c(N3CCN(C)CC3)nc3ccc(C(F)(F)F)cc3c12.
What is the InChIKey of 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline?
The InChIKey is GLRJMWFDZNGYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N5/c1-3-12-15-13-10-11(18(20,21)22)4-5-14(13)26-17(29-8-6-28(2)7-9-29)30(15)27-16(12)19(23,24)25/h3-5,10H,1,6-9H2,2H3.
What are the key properties of 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline?
1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline has a molecular weight of 429.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 162601554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).