[3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone

C24H21ClN4O3 — CID 121238430

IUPAC[3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone
SMILESCOc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C24H21ClN4O3/c1-31-20-12-5-3-10-18(20)26-22-15-23(27-19-11-4-6-13-21(19)32-2)29(28-22)24(30)16-8-7-9-17(25)14-16/h3-15,27H,1-2H3,(H,26,28)
InChIKeyYSTRLJSEHRNIAE-UHFFFAOYSA-N
MW448.91 g/mol
LogP5.73
Rot. Bonds7

About [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone

[3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone (PubChem CID 121238430) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone
PubChem CID121238430
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name[3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone
SMILESCOc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C24H21ClN4O3/c1-31-20-12-5-3-10-18(20)26-22-15-23(27-19-11-4-6-13-21(19)32-2)29(28-22)24(30)16-8-7-9-17(25)14-16/h3-15,27H,1-2H3,(H,26,28)
InChIKeyYSTRLJSEHRNIAE-UHFFFAOYSA-N
XLogP5.73
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
CID 121238381
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
N-(2,4-dichlorophenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129176
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
3,5-dichloro-N'-(2-methoxyphenyl)benzohydrazide
CID 20661682
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
[3,5-bis(4-ethoxyanilino)pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 121238439
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone (CID 121238430) is [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone is COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is YSTRLJSEHRNIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-31-20-12-5-3-10-18(20)26-22-15-23(27-19-11-4-6-13-21(19)32-2)29(28-22)24(30)16-8-7-9-17(25)14-16/h3-15,27H,1-2H3,(H,26,28).
What are the key properties of [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone?
[3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 448.91 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 121238430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).