N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide

C19H18ClF3N6O2 — CID 19523489

IUPACN-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1
InChIInChI=1S/C19H18ClF3N6O2/c1-3-28-14(7-8-24-28)18(31)26-13-6-4-5-12(9-13)25-15(30)10-29-11(2)16(20)17(27-29)19(21,22)23/h4-9H,3,10H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyQLMRNKAMIIGUPS-UHFFFAOYSA-N
MW454.84 g/mol
LogP3.97
Rot. Bonds6

About N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide

N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19523489) has the molecular formula C19H18ClF3N6O2 and a molecular weight of 454.84 g/mol. Its IUPAC name is N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
PubChem CID19523489
Molecular FormulaC19H18ClF3N6O2
Molecular Weight454.84 g/mol
Exact Mass454.11
IUPAC NameN-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1
InChIInChI=1S/C19H18ClF3N6O2/c1-3-28-14(7-8-24-28)18(31)26-13-6-4-5-12(9-13)25-15(30)10-29-11(2)16(20)17(27-29)19(21,22)23/h4-9H,3,10H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyQLMRNKAMIIGUPS-UHFFFAOYSA-N
XLogP3.97
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.84
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide (CID 19523489) is N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1.
What is the InChIKey of N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is QLMRNKAMIIGUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N6O2/c1-3-28-14(7-8-24-28)18(31)26-13-6-4-5-12(9-13)25-15(30)10-29-11(2)16(20)17(27-29)19(21,22)23/h4-9H,3,10H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?
N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 454.84 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19523489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).