2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

C19H22ClF2N3O3 — CID 19526833

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1
InChIInChI=1S/C19H22ClF2N3O3/c1-10(13-8-12(27-2)6-7-14(13)28-3)23-15(26)9-25-18(11-4-5-11)16(20)17(24-25)19(21)22/h6-8,10-11,19H,4-5,9H2,1-3H3,(H,23,26)
InChIKeyTZNASSHJUNGNNU-UHFFFAOYSA-N
MW413.85 g/mol
LogP4.25
Rot. Bonds8

About 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 19526833) has the molecular formula C19H22ClF2N3O3 and a molecular weight of 413.85 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID19526833
Molecular FormulaC19H22ClF2N3O3
Molecular Weight413.85 g/mol
Exact Mass413.13
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1
InChIInChI=1S/C19H22ClF2N3O3/c1-10(13-8-12(27-2)6-7-14(13)28-3)23-15(26)9-25-18(11-4-5-11)16(20)17(24-25)19(21)22/h6-8,10-11,19H,4-5,9H2,1-3H3,(H,23,26)
InChIKeyTZNASSHJUNGNNU-UHFFFAOYSA-N
XLogP4.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 19518123
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)acetamide
CID 19526775
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19543768
N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19526729
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
CID 71845058
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55409417
2-cyclohexylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 60608736
1-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 29089861
3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 43077905

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 19526833) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c(C(C)NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is TZNASSHJUNGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2N3O3/c1-10(13-8-12(27-2)6-7-14(13)28-3)23-15(26)9-25-18(11-4-5-11)16(20)17(24-25)19(21)22/h6-8,10-11,19H,4-5,9H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 413.85 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 19526833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).