N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide

C23H25N3O4 — CID 42874188

IUPACN-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(-c3ccc(OC)cc3OC)n[nH]c2C2CC2)cc1
InChIInChI=1S/C23H25N3O4/c1-28-16-8-4-14(5-9-16)12-20(27)24-23-21(15-6-7-15)25-26-22(23)18-11-10-17(29-2)13-19(18)30-3/h4-5,8-11,13,15H,6-7,12H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyMYVUEQSOKKOQAS-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.16
Rot. Bonds8

About N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide

N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 42874188) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID42874188
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(-c3ccc(OC)cc3OC)n[nH]c2C2CC2)cc1
InChIInChI=1S/C23H25N3O4/c1-28-16-8-4-14(5-9-16)12-20(27)24-23-21(15-6-7-15)25-26-22(23)18-11-10-17(29-2)13-19(18)30-3/h4-5,8-11,13,15H,6-7,12H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyMYVUEQSOKKOQAS-UHFFFAOYSA-N
XLogP4.16
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]urea
CID 42687445
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 42687455
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42687451
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42687695
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide (CID 42874188) is N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2c(-c3ccc(OC)cc3OC)n[nH]c2C2CC2)cc1.
What is the InChIKey of N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MYVUEQSOKKOQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-16-8-4-14(5-9-16)12-20(27)24-23-21(15-6-7-15)25-26-22(23)18-11-10-17(29-2)13-19(18)30-3/h4-5,8-11,13,15H,6-7,12H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42874188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).