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

C21H20ClN3O3 — CID 42687695

IUPAC2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-27-16-8-4-14(5-9-16)20-21(19(24-25-20)13-2-3-13)23-18(26)12-28-17-10-6-15(22)7-11-17/h4-11,13H,2-3,12H2,1H3,(H,23,26)(H,24,25)
InChIKeySZWWZHVWGHZSQN-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.63
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 42687695) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide
PubChem CID42687695
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-27-16-8-4-14(5-9-16)20-21(19(24-25-20)13-2-3-13)23-18(26)12-28-17-10-6-15(22)7-11-17/h4-11,13H,2-3,12H2,1H3,(H,23,26)(H,24,25)
InChIKeySZWWZHVWGHZSQN-UHFFFAOYSA-N
XLogP4.63
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide
CID 42687630
N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874188
1-(4-chlorophenyl)-3-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]urea
CID 42687445
N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
N-[5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 42686544
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460
N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide
CID 22954116

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide (CID 42687695) is 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide is COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is SZWWZHVWGHZSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-16-8-4-14(5-9-16)20-21(19(24-25-20)13-2-3-13)23-18(26)12-28-17-10-6-15(22)7-11-17/h4-11,13H,2-3,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42687695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).