N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C24H28FN5O3S — CID 55521747

IUPACN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C24H28FN5O3S/c1-17-19(16-26-30(17)22-10-6-5-9-20(22)25)24(31)27-21-15-18(11-12-23(21)28(2)3)34(32,33)29-13-7-4-8-14-29/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,27,31)
InChIKeyHYWWAHYOWQAKRQ-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55521747) has the molecular formula C24H28FN5O3S and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID55521747
Molecular FormulaC24H28FN5O3S
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C24H28FN5O3S/c1-17-19(16-26-30(17)22-10-6-5-9-20(22)25)24(31)27-21-15-18(11-12-23(21)28(2)3)34(32,33)29-13-7-4-8-14-29/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,27,31)
InChIKeyHYWWAHYOWQAKRQ-UHFFFAOYSA-N
XLogP3.81
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026070
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 33298247
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55531902
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 55344900
2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
CID 26292598
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813716
1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 33495801
5-methyl-1-(2-methylphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 55624760
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36765207
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 55521747) is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cnn1-c1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is HYWWAHYOWQAKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3S/c1-17-19(16-26-30(17)22-10-6-5-9-20(22)25)24(31)27-21-15-18(11-12-23(21)28(2)3)34(32,33)29-13-7-4-8-14-29/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,27,31).
What are the key properties of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55521747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).