1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide

C20H18Cl2FN3O2 — CID 69114390

IUPAC1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(N)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCF)cc1
InChIInChI=1S/C20H18Cl2FN3O2/c1-12-18(20(24)27)25-26(17-8-5-14(21)11-16(17)22)19(12)13-3-6-15(7-4-13)28-10-2-9-23/h3-8,11H,2,9-10H2,1H3,(H2,24,27)
InChIKeyNEQYGFOUIAECAU-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.99
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide (PubChem CID 69114390) has the molecular formula C20H18Cl2FN3O2 and a molecular weight of 422.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide
PubChem CID69114390
Molecular FormulaC20H18Cl2FN3O2
Molecular Weight422.29 g/mol
Exact Mass421.08
IUPAC Name1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(N)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCF)cc1
InChIInChI=1S/C20H18Cl2FN3O2/c1-12-18(20(24)27)25-26(17-8-5-14(21)11-16(17)22)19(12)13-3-6-15(7-4-13)28-10-2-9-23/h3-8,11H,2,9-10H2,1H3,(H2,24,27)
InChIKeyNEQYGFOUIAECAU-UHFFFAOYSA-N
XLogP4.99
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(piperidin-1-yl)-5-(4-methoxyphenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 11037861
Jhu-75528 c-11
CID 11963742
Jhu-75528
CID 11995515
2-Tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(phenoxymethyl)-1h-pyrazol-3-yl)-1,3,4-oxadiazole
CID 25149823
1-(2,4-Dichloro-phenyl)-5-(4-hydroxy-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 135512802
1-(2,4-Dichlorophenyl)-4-cyano-5-(4-[11C]methoxyphenyl)-N-(pyrrolidin-1-yl)-1H-pyrazole-3-carboxamide
CID 25267123
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10002504
N-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 10886022
1-(2-chlorophenyl)-4-fluoro-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 11004488
N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 11027128
4-bromo-1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 11103004
1-(2-Chloro-4-fluorophenyl)-4-cyano-5-(4-methoxyphenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 25266087

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide (CID 69114390) is 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide is Cc1c(C(N)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCF)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is NEQYGFOUIAECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O2/c1-12-18(20(24)27)25-26(17-8-5-14(21)11-16(17)22)19(12)13-3-6-15(7-4-13)28-10-2-9-23/h3-8,11H,2,9-10H2,1H3,(H2,24,27).
What are the key properties of 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 422.29 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 69114390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).