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

C22H21ClN4O2 — CID 53195921

IUPAC2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)n[nH]2)cc2ccccc21
InChIInChI=1S/C22H21ClN4O2/c1-3-27-19-7-5-4-6-15(19)10-20(27)18-13-21(26-25-18)24-22(28)11-14-8-9-16(29-2)12-17(14)23/h4-10,12-13H,3,11H2,1-2H3,(H2,24,25,26,28)
InChIKeyPMKZFHGTEJHQRF-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.89
Rot. Bonds6

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

2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 53195921) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID53195921
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)n[nH]2)cc2ccccc21
InChIInChI=1S/C22H21ClN4O2/c1-3-27-19-7-5-4-6-15(19)10-20(27)18-13-21(26-25-18)24-22(28)11-14-8-9-16(29-2)12-17(14)23/h4-10,12-13H,3,11H2,1-2H3,(H2,24,25,26,28)
InChIKeyPMKZFHGTEJHQRF-UHFFFAOYSA-N
XLogP4.89
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloro-4-methoxybenzoyl)piperazin-1-yl]-[4-[(1H-indazol-3-ylamino)methyl]phenyl]methanone
CID 172445194
N-[3-(1-Ethyl-4-methoxy-1H-indol-2-YL)-1H-pyrazol-5-YL]cyclopropanecarboxamide
CID 53196087
N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-2-(4-methoxyphenyl)acetamide
CID 91888012
N-[3-(1-Ethyl-5-methoxy-1H-indol-2-YL)-1H-pyrazol-5-YL]cyclopropanecarboxamide
CID 53195958
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide
CID 53196007
N~1~-[3-(1-ethyl-5-methoxy-1H-indol-2-yl)-1H-pyrazol-5-yl]acetamide
CID 53196009
N-[3-(1-ethyl-4-methoxy-1H-indol-2-yl)-1H-pyrazol-5-yl]acetamide
CID 53196135
N-[3-(1-ethyl-6-methoxy-1H-indol-2-yl)-1H-pyrazol-5-yl]-1-cyclopropanecarboxamide
CID 53196158
N-[3-(1-Ethyl-6-methoxy-1H-indol-2-YL)-1H-pyrazol-5-YL]propanamide
CID 53196209
N-[3-(1-Ethyl-6-methoxy-1H-indol-2-YL)-1H-pyrazol-5-YL]acetamide
CID 53196213
2-(1H-Indol-3-YL)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-YL]-1,4-diazepan-1-YL}ethan-1-one
CID 91904719
N-[3-(1-Ethyl-1H-indol-2-YL)-1H-pyrazol-5-YL]-2-(3-methoxyphenyl)acetamide
CID 53195883

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide (CID 53195921) is 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide is CCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)n[nH]2)cc2ccccc21.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is PMKZFHGTEJHQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-3-27-19-7-5-4-6-15(19)10-20(27)18-13-21(26-25-18)24-22(28)11-14-8-9-16(29-2)12-17(14)23/h4-10,12-13H,3,11H2,1-2H3,(H2,24,25,26,28).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide?
2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 408.89 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 53195921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).