N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide

C19H27ClN4O3 — CID 126811465

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide
SMILESCCc1c(NCC(=O)Nc2cc(Cl)c(OC)cc2OC)cnn1CC(C)C
InChIInChI=1S/C19H27ClN4O3/c1-6-16-15(9-22-24(16)11-12(2)3)21-10-19(25)23-14-7-13(20)17(26-4)8-18(14)27-5/h7-9,12,21H,6,10-11H2,1-5H3,(H,23,25)
InChIKeyKCTNPJZMNAEREU-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.82
Rot. Bonds9

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide (PubChem CID 126811465) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide
PubChem CID126811465
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide
SMILESCCc1c(NCC(=O)Nc2cc(Cl)c(OC)cc2OC)cnn1CC(C)C
InChIInChI=1S/C19H27ClN4O3/c1-6-16-15(9-22-24(16)11-12(2)3)21-10-19(25)23-14-7-13(20)17(26-4)8-18(14)27-5/h7-9,12,21H,6,10-11H2,1-5H3,(H,23,25)
InChIKeyKCTNPJZMNAEREU-UHFFFAOYSA-N
XLogP3.82
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
CID 47410572
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
CID 41397519
2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24565249
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide (CID 126811465) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide is CCc1c(NCC(=O)Nc2cc(Cl)c(OC)cc2OC)cnn1CC(C)C.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide?
The InChIKey is KCTNPJZMNAEREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O3/c1-6-16-15(9-22-24(16)11-12(2)3)21-10-19(25)23-14-7-13(20)17(26-4)8-18(14)27-5/h7-9,12,21H,6,10-11H2,1-5H3,(H,23,25).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide has a molecular weight of 394.90 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]acetamide is sourced from PubChem (CID 126811465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).