4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide

C50H38Cl2F8N12O4 — CID 162029332

IUPAC4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(Cl)cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cc(F)cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1
InChIInChI=1S/2C25H19ClF4N6O2/c1-2-36-12-18(22(35-36)13-7-8-32-20(9-13)23(31)37)17-10-15(27)11-19(21(17)26)34-24(38)33-16-5-3-14(4-6-16)25(28,29)30;1-2-36-12-18(22(35-36)13-7-8-32-20(9-13)23(31)37)17-10-15(26)11-19(21(17)27)34-24(38)33-16-5-3-14(4-6-16)25(28,29)30/h2*3-12H,2H2,1H3,(H2,31,37)(H2,33,34,38)
InChIKeyYVURUWNZGWIYPL-UHFFFAOYSA-N
MW1093.82 g/mol
LogP12.37
Rot. Bonds12

About 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide

4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 162029332) has the molecular formula C50H38Cl2F8N12O4 and a molecular weight of 1093.82 g/mol. Its IUPAC name is 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide
PubChem CID162029332
Molecular FormulaC50H38Cl2F8N12O4
Molecular Weight1093.82 g/mol
Exact Mass1092.24
IUPAC Name4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(Cl)cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cc(F)cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1
InChIInChI=1S/2C25H19ClF4N6O2/c1-2-36-12-18(22(35-36)13-7-8-32-20(9-13)23(31)37)17-10-15(27)11-19(21(17)26)34-24(38)33-16-5-3-14(4-6-16)25(28,29)30;1-2-36-12-18(22(35-36)13-7-8-32-20(9-13)23(31)37)17-10-15(26)11-19(21(17)27)34-24(38)33-16-5-3-14(4-6-16)25(28,29)30/h2*3-12H,2H2,1H3,(H2,31,37)(H2,33,34,38)
InChIKeyYVURUWNZGWIYPL-UHFFFAOYSA-N
XLogP12.37
TPSA229.86 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.82
LogP ≤ 512.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide (CID 162029332) is 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide is CCn1cc(-c2cc(Cl)cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cc(F)cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1.
What is the InChIKey of 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is YVURUWNZGWIYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H19ClF4N6O2/c1-2-36-12-18(22(35-36)13-7-8-32-20(9-13)23(31)37)17-10-15(27)11-19(21(17)26)34-24(38)33-16-5-3-14(4-6-16)25(28,29)30;1-2-36-12-18(22(35-36)13-7-8-32-20(9-13)23(31)37)17-10-15(26)11-19(21(17)27)34-24(38)33-16-5-3-14(4-6-16)25(28,29)30/h2*3-12H,2H2,1H3,(H2,31,37)(H2,33,34,38).
What are the key properties of 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide?
4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 1093.82 g/mol, XLogP of 12.37, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162029332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).