N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H22F3N3O2 — CID 71684734

IUPACN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(CN(C(=O)Cn2ccc(C(F)(F)F)n2)C(C)C2CC2)cc1
InChIInChI=1S/C19H22F3N3O2/c1-13(15-5-6-15)25(11-14-3-7-16(27-2)8-4-14)18(26)12-24-10-9-17(23-24)19(20,21)22/h3-4,7-10,13,15H,5-6,11-12H2,1-2H3
InChIKeyYAUSXHTWYNXDOZ-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.74
Rot. Bonds7

About N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 71684734) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID71684734
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(CN(C(=O)Cn2ccc(C(F)(F)F)n2)C(C)C2CC2)cc1
InChIInChI=1S/C19H22F3N3O2/c1-13(15-5-6-15)25(11-14-3-7-16(27-2)8-4-14)18(26)12-24-10-9-17(23-24)19(20,21)22/h3-4,7-10,13,15H,5-6,11-12H2,1-2H3
InChIKeyYAUSXHTWYNXDOZ-UHFFFAOYSA-N
XLogP3.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide
CID 34179141
3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 55575014
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 56560718
propan-2-yl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 60643569
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55551492
N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134028338
1-[(4-methoxyphenyl)methyl]-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiourea
CID 9478874

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 71684734) is N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(CN(C(=O)Cn2ccc(C(F)(F)F)n2)C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is YAUSXHTWYNXDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-13(15-5-6-15)25(11-14-3-7-16(27-2)8-4-14)18(26)12-24-10-9-17(23-24)19(20,21)22/h3-4,7-10,13,15H,5-6,11-12H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 71684734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).