4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide

C19H15ClF3N3O2 — CID 15008423

IUPAC4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H15ClF3N3O2/c1-26-17(16(20)11-25-26)18(27)24-10-12-2-6-14(7-3-12)28-15-8-4-13(5-9-15)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeyBDJOIAQIJGBVFY-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.81
Rot. Bonds5

About 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 15008423) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
PubChem CID15008423
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H15ClF3N3O2/c1-26-17(16(20)11-25-26)18(27)24-10-12-2-6-14(7-3-12)28-15-8-4-13(5-9-15)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeyBDJOIAQIJGBVFY-UHFFFAOYSA-N
XLogP4.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide (CID 15008423) is 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is BDJOIAQIJGBVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-26-17(16(20)11-25-26)18(27)24-10-12-2-6-14(7-3-12)28-15-8-4-13(5-9-15)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,27).
What are the key properties of 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 15008423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).