1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C19H17F3N4O2 — CID 87041161

IUPAC1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N4O2/c1-26-11-16(17(25-26)19(20,21)22)18(27)24-10-13-5-7-15(8-6-13)28-12-14-4-2-3-9-23-14/h2-9,11H,10,12H2,1H3,(H,24,27)
InChIKeyABVMNBOYCSUXSZ-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.34
Rot. Bonds6

About 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87041161) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87041161
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N4O2/c1-26-11-16(17(25-26)19(20,21)22)18(27)24-10-13-5-7-15(8-6-13)28-12-14-4-2-3-9-23-14/h2-9,11H,10,12H2,1H3,(H,24,27)
InChIKeyABVMNBOYCSUXSZ-UHFFFAOYSA-N
XLogP3.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
1-methyl-N-(naphthalen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020382
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55901508
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
N-[[4-(diethylcarbamoyl)phenyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020417
3-[[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]benzoic acid
CID 91644944
N-[2-(4-tert-butylphenoxy)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020315
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901382
2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 10280432

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87041161) is 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ABVMNBOYCSUXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-26-11-16(17(25-26)19(20,21)22)18(27)24-10-13-5-7-15(8-6-13)28-12-14-4-2-3-9-23-14/h2-9,11H,10,12H2,1H3,(H,24,27).
What are the key properties of 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87041161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).