3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide

C18H20F3N3O3 — CID 122587993

IUPAC3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCCn1nc(C2CC2)cc1C(=O)NCc1cccc(OC(F)(F)F)c1OC
InChIInChI=1S/C18H20F3N3O3/c1-3-24-14(9-13(23-24)11-7-8-11)17(25)22-10-12-5-4-6-15(16(12)26-2)27-18(19,20)21/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,22,25)
InChIKeyXJCCCYZXIBFMKL-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.62
Rot. Bonds7

About 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide

3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 122587993) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID122587993
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCCn1nc(C2CC2)cc1C(=O)NCc1cccc(OC(F)(F)F)c1OC
InChIInChI=1S/C18H20F3N3O3/c1-3-24-14(9-13(23-24)11-7-8-11)17(25)22-10-12-5-4-6-15(16(12)26-2)27-18(19,20)21/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,22,25)
InChIKeyXJCCCYZXIBFMKL-UHFFFAOYSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 168731230
3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 170258643
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 55738342
methyl 3-cyclopropyl-1-ethylpyrazole-5-carboxylate
CID 25247505
1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide
CID 55908630
N-[[3-[[4-(4-butylsulfonylpiperazine-1-carbonyl)phenyl]methoxy]-2-methoxyphenyl]methyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 168731233
3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 122598513
dicesium;1-(3-cyclopropyl-1-methylpyrazol-5-yl)ethanone;3-(1,1-difluoroethoxy)-2-hydroxybenzaldehyde;3-(1,1-difluoroethoxy)-2-methoxybenzaldehyde;(2,4-dimethoxyphenyl)methanamine;bis(N-[(2,4-dimethoxyphenyl)methyl]-1-[2-methoxy-3-(trifluoromethoxy)phenyl]methanamine);hydride;2-methoxy-3-(trifluoromethoxy)benzaldehyde;oxido formate
CID 157495682
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide
CID 122278049
3-cyclopropyl-N-[[2-methoxy-3-[[4-[2-methyl-4-(2-methylpropylsulfonyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 168731239
6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718526

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide (CID 122587993) is 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide is CCn1nc(C2CC2)cc1C(=O)NCc1cccc(OC(F)(F)F)c1OC.
What is the InChIKey of 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is XJCCCYZXIBFMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-3-24-14(9-13(23-24)11-7-8-11)17(25)22-10-12-5-4-6-15(16(12)26-2)27-18(19,20)21/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,22,25).
What are the key properties of 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122587993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).