7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one

C51H45ClF6N10O4 — CID 159103080

IUPAC7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2c(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12.CCN(CC)CCNC(=O)c1cnn2c(-c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12
InChIInChI=1S/C27H27ClF3N7O2.C24H18F3N3O2/c1-3-37(4-2)13-12-33-25(39)20-16-34-38-23(10-11-32-24(20)38)17-6-5-7-18(14-17)35-26(40)36-19-8-9-22(28)21(15-19)27(29,30)31;1-2-21(31)19-14-29-30-20(9-10-28-23(19)30)16-6-3-5-15(11-16)12-22(32)17-7-4-8-18(13-17)24(25,26)27/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,33,39)(H2,35,36,40);3-11,13-14H,2,12H2,1H3
InChIKeyKDNJIZUCARKULU-UHFFFAOYSA-N
MW1011.43 g/mol
LogP11.22
Rot. Bonds15

About 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one

7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one (PubChem CID 159103080) has the molecular formula C51H45ClF6N10O4 and a molecular weight of 1011.43 g/mol. Its IUPAC name is 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one.

Molecular Properties

Compound Name7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
PubChem CID159103080
Molecular FormulaC51H45ClF6N10O4
Molecular Weight1011.43 g/mol
Exact Mass1010.32
IUPAC Name7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2c(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12.CCN(CC)CCNC(=O)c1cnn2c(-c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12
InChIInChI=1S/C27H27ClF3N7O2.C24H18F3N3O2/c1-3-37(4-2)13-12-33-25(39)20-16-34-38-23(10-11-32-24(20)38)17-6-5-7-18(14-17)35-26(40)36-19-8-9-22(28)21(15-19)27(29,30)31;1-2-21(31)19-14-29-30-20(9-10-28-23(19)30)16-6-3-5-15(11-16)12-22(32)17-7-4-8-18(13-17)24(25,26)27/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,33,39)(H2,35,36,40);3-11,13-14H,2,12H2,1H3
InChIKeyKDNJIZUCARKULU-UHFFFAOYSA-N
XLogP11.22
TPSA167.99 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.43
LogP ≤ 511.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one with MolForge

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Related Compounds

7-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-(2-(diethylamino)ethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45268883
7-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45269730
7-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45273140
N-(3-(3-(6-(2-(dimethylamino)ethylamino)pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 45375869
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 46879458
N-(4-fluoro-3-(3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46879461
N-(3-(3-(4-((4-methylpiperazin-1-yl)methyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880106
N-(3-(3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880140
4-chloro-N-(3-(2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883711
N-(3-(2-(2-(2-(dimethylamino)ethylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883716
N-(3-(2-(2-(2-(pyrrolidin-1-yl)ethylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883719
N-(3-(2-(2-(3-(pyrrolidin-1-yl)propylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883720

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The IUPAC name of 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one (CID 159103080) is 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one.
What is the SMILES notation for 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The canonical SMILES for 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one is CCC(=O)c1cnn2c(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12.CCN(CC)CCNC(=O)c1cnn2c(-c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12.
What is the InChIKey of 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The InChIKey is KDNJIZUCARKULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF3N7O2.C24H18F3N3O2/c1-3-37(4-2)13-12-33-25(39)20-16-34-38-23(10-11-32-24(20)38)17-6-5-7-18(14-17)35-26(40)36-19-8-9-22(28)21(15-19)27(29,30)31;1-2-21(31)19-14-29-30-20(9-10-28-23(19)30)16-6-3-5-15(11-16)12-22(32)17-7-4-8-18(13-17)24(25,26)27/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,33,39)(H2,35,36,40);3-11,13-14H,2,12H2,1H3.
What are the key properties of 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one has a molecular weight of 1011.43 g/mol, XLogP of 11.22, 15 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one is sourced from PubChem (CID 159103080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).