1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C23H23Cl2FN4O2 — CID 68803235

IUPAC1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)c(F)c2Cl)cc1
InChIInChI=1S/C23H23Cl2FN4O2/c1-14-21(23(31)28-29-12-4-3-5-13-29)27-30(18-11-10-17(24)20(26)19(18)25)22(14)15-6-8-16(32-2)9-7-15/h6-11H,3-5,12-13H2,1-2H3,(H,28,31)
InChIKeyUTTBLKLWCVVVFO-UHFFFAOYSA-N
MW477.37 g/mol
LogP5.43
Rot. Bonds5

About 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 68803235) has the molecular formula C23H23Cl2FN4O2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID68803235
Molecular FormulaC23H23Cl2FN4O2
Molecular Weight477.37 g/mol
Exact Mass476.12
IUPAC Name1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)c(F)c2Cl)cc1
InChIInChI=1S/C23H23Cl2FN4O2/c1-14-21(23(31)28-29-12-4-3-5-13-29)27-30(18-11-10-17(24)20(26)19(18)25)22(14)15-6-8-16(32-2)9-7-15/h6-11H,3-5,12-13H2,1-2H3,(H,28,31)
InChIKeyUTTBLKLWCVVVFO-UHFFFAOYSA-N
XLogP5.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.37
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-4-(18F)fluoro-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10928082
N-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 10886022
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 162713195
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147
5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 86271988
2-[4-[5-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-1-yl]phenoxy]acetic acid
CID 59217895
1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-[4-(2-sulfanylethyl)phenyl]pyrazole-3-carboxamide
CID 88873863
1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 59232565

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 68803235) is 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)c(F)c2Cl)cc1.
What is the InChIKey of 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is UTTBLKLWCVVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN4O2/c1-14-21(23(31)28-29-12-4-3-5-13-29)27-30(18-11-10-17(24)20(26)19(18)25)22(14)15-6-8-16(32-2)9-7-15/h6-11H,3-5,12-13H2,1-2H3,(H,28,31).
What are the key properties of 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 477.37 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 68803235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).