4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

C18H21ClFN5O5S — CID 59862773

IUPAC4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(F)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCN(S(C)(=O)=O)CC2)c1Cl
InChIInChI=1S/C18H21ClFN5O5S/c1-30-13-4-3-11(20)14(15(13)19)17(26)23-12-9-21-24-16(12)18(27)22-10-5-7-25(8-6-10)31(2,28)29/h3-4,9-10H,5-8H2,1-2H3,(H,21,24)(H,22,27)(H,23,26)
InChIKeyFSALIWAHVAOCDF-UHFFFAOYSA-N
MW473.91 g/mol
LogP1.62
Rot. Bonds6

About 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 59862773) has the molecular formula C18H21ClFN5O5S and a molecular weight of 473.91 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID59862773
Molecular FormulaC18H21ClFN5O5S
Molecular Weight473.91 g/mol
Exact Mass473.09
IUPAC Name4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(F)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCN(S(C)(=O)=O)CC2)c1Cl
InChIInChI=1S/C18H21ClFN5O5S/c1-30-13-4-3-11(20)14(15(13)19)17(26)23-12-9-21-24-16(12)18(27)22-10-5-7-25(8-6-10)31(2,28)29/h3-4,9-10H,5-8H2,1-2H3,(H,21,24)(H,22,27)(H,23,26)
InChIKeyFSALIWAHVAOCDF-UHFFFAOYSA-N
XLogP1.62
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

bis(4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide);methane
CID 160548828
4-[(2-bromo-6-chlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 59862708
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862699
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862674
N-[1-(6-chloro-2-pyridinyl)piperidin-4-yl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59733311
N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162148706
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862729
N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59862752
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155518463
4-[(2-chloro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862803

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (CID 59862773) is 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is COc1ccc(F)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCN(S(C)(=O)=O)CC2)c1Cl.
What is the InChIKey of 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is FSALIWAHVAOCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN5O5S/c1-30-13-4-3-11(20)14(15(13)19)17(26)23-12-9-21-24-16(12)18(27)22-10-5-7-25(8-6-10)31(2,28)29/h3-4,9-10H,5-8H2,1-2H3,(H,21,24)(H,22,27)(H,23,26).
What are the key properties of 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 473.91 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59862773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).