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

C18H15Cl2N3O3 — CID 46920320

IUPACN-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)[nH]n2)c(OC)c1
InChIInChI=1S/C18H15Cl2N3O3/c1-25-13-3-4-14(17(8-13)26-2)15-9-16(23-22-15)18(24)21-12-6-10(19)5-11(20)7-12/h3-9H,1-2H3,(H,21,24)(H,22,23)
InChIKeyFDMKLVXSMOTBFI-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.65
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920320) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920320
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC NameN-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)[nH]n2)c(OC)c1
InChIInChI=1S/C18H15Cl2N3O3/c1-25-13-3-4-14(17(8-13)26-2)15-9-16(23-22-15)18(24)21-12-6-10(19)5-11(20)7-12/h3-9H,1-2H3,(H,21,24)(H,22,23)
InChIKeyFDMKLVXSMOTBFI-UHFFFAOYSA-N
XLogP4.65
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920353
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
3-(2,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46920331
N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46948688
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(2,4-dimethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039755
3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46948382

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46920320) is N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)[nH]n2)c(OC)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FDMKLVXSMOTBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-25-13-3-4-14(17(8-13)26-2)15-9-16(23-22-15)18(24)21-12-6-10(19)5-11(20)7-12/h3-9H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 392.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).