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

C20H20ClN3O4 — CID 46856817

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)c(OC)cc3OC)[nH]n2)cc1
InChIInChI=1S/C20H20ClN3O4/c1-4-28-13-7-5-12(6-8-13)15-10-17(24-23-15)20(25)22-16-9-14(21)18(26-2)11-19(16)27-3/h5-11H,4H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyIHOUZIVRPWMUHX-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.40
Rot. Bonds7

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

N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46856817) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46856817
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)c(OC)cc3OC)[nH]n2)cc1
InChIInChI=1S/C20H20ClN3O4/c1-4-28-13-7-5-12(6-8-13)15-10-17(24-23-15)20(25)22-16-9-14(21)18(26-2)11-19(16)27-3/h5-11H,4H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyIHOUZIVRPWMUHX-UHFFFAOYSA-N
XLogP4.40
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920353
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
3-(4-ethoxyphenyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5450226
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
3-(3,4-dichlorophenyl)-N-(4-ethoxy-2-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19513589
3-(4-chlorophenyl)-N-(4-ethoxy-2-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19509397
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 24531993
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46856817) is N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)c(OC)cc3OC)[nH]n2)cc1.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IHOUZIVRPWMUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-4-28-13-7-5-12(6-8-13)15-10-17(24-23-15)20(25)22-16-9-14(21)18(26-2)11-19(16)27-3/h5-11H,4H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46856817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).