N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

C20H20ClN3O5 — CID 46920353

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)[nH]n2)c(OC)c1
InChIInChI=1S/C20H20ClN3O5/c1-26-11-5-6-12(17(7-11)27-2)14-9-16(24-23-14)20(25)22-15-10-18(28-3)13(21)8-19(15)29-4/h5-10H,1-4H3,(H,22,25)(H,23,24)
InChIKeyBQVJSOHCCCSODL-UHFFFAOYSA-N
MW417.85 g/mol
LogP4.02
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920353) has the molecular formula C20H20ClN3O5 and a molecular weight of 417.85 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920353
Molecular FormulaC20H20ClN3O5
Molecular Weight417.85 g/mol
Exact Mass417.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)[nH]n2)c(OC)c1
InChIInChI=1S/C20H20ClN3O5/c1-26-11-5-6-12(17(7-11)27-2)14-9-16(24-23-14)20(25)22-15-10-18(28-3)13(21)8-19(15)29-4/h5-10H,1-4H3,(H,22,25)(H,23,24)
InChIKeyBQVJSOHCCCSODL-UHFFFAOYSA-N
XLogP4.02
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920320
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920339
3-(2,4-dimethoxyphenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920338
N-(4-bromo-2-methylphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920344
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856817
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
3-(2,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46920331
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
N-(2,4-dimethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039755
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 24531993

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46920353) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)[nH]n2)c(OC)c1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BQVJSOHCCCSODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5/c1-26-11-5-6-12(17(7-11)27-2)14-9-16(24-23-14)20(25)22-15-10-18(28-3)13(21)8-19(15)29-4/h5-10H,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 417.85 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).