3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide

C20H18F3N3O2 — CID 46943935

IUPAC3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]n2)c(C)c1
InChIInChI=1S/C20H18F3N3O2/c1-12-8-15(28-2)6-7-16(12)17-10-18(26-25-17)19(27)24-11-13-4-3-5-14(9-13)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMWQJZBYVEKMIPL-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.34
Rot. Bonds5

About 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide

3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 46943935) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID46943935
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]n2)c(C)c1
InChIInChI=1S/C20H18F3N3O2/c1-12-8-15(28-2)6-7-16(12)17-10-18(26-25-17)19(27)24-11-13-4-3-5-14(9-13)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMWQJZBYVEKMIPL-UHFFFAOYSA-N
XLogP4.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide (CID 46943935) is 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]n2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MWQJZBYVEKMIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-12-8-15(28-2)6-7-16(12)17-10-18(26-25-17)19(27)24-11-13-4-3-5-14(9-13)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46943935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).