2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

C18H24ClN3O3 — CID 19537915

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)n2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C18H24ClN3O3/c1-10(15-9-14(24-5)7-8-16(15)25-6)20-18(23)13(4)22-12(3)17(19)11(2)21-22/h7-10,13H,1-6H3,(H,20,23)
InChIKeyXFHGIWMLFGPFLU-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 19537915) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID19537915
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)n2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C18H24ClN3O3/c1-10(15-9-14(24-5)7-8-16(15)25-6)20-18(23)13(4)22-12(3)17(19)11(2)21-22/h7-10,13H,1-6H3,(H,20,23)
InChIKeyXFHGIWMLFGPFLU-UHFFFAOYSA-N
XLogP3.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19543768
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 51076839
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 19448459
2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133224959
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19535063
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505031
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907878
tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
CID 63790271
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 19537915) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1ccc(OC)c(C(C)NC(=O)C(C)n2nc(C)c(Cl)c2C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is XFHGIWMLFGPFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-10(15-9-14(24-5)7-8-16(15)25-6)20-18(23)13(4)22-12(3)17(19)11(2)21-22/h7-10,13H,1-6H3,(H,20,23).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 365.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 19537915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).