N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide

C26H32N4O4S — CID 90656817

IUPACN-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(C(C)C)cc2C(=O)N(C)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C26H32N4O4S/c1-18(2)30-17-23(25(27-30)21-9-6-19(3)7-10-21)26(31)28(5)22-11-8-20(4)24(16-22)35(32,33)29-12-14-34-15-13-29/h6-11,16-18H,12-15H2,1-5H3
InChIKeyDRIRNSQDYBCFKS-UHFFFAOYSA-N
MW496.63 g/mol
LogP4.05
Rot. Bonds6

About N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide

N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 90656817) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID90656817
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(C(C)C)cc2C(=O)N(C)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C26H32N4O4S/c1-18(2)30-17-23(25(27-30)21-9-6-19(3)7-10-21)26(31)28(5)22-11-8-20(4)24(16-22)35(32,33)29-12-14-34-15-13-29/h6-11,16-18H,12-15H2,1-5H3
InChIKeyDRIRNSQDYBCFKS-UHFFFAOYSA-N
XLogP4.05
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide (CID 90656817) is N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(-c2nn(C(C)C)cc2C(=O)N(C)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DRIRNSQDYBCFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-18(2)30-17-23(25(27-30)21-9-6-19(3)7-10-21)26(31)28(5)22-11-8-20(4)24(16-22)35(32,33)29-12-14-34-15-13-29/h6-11,16-18H,12-15H2,1-5H3.
What are the key properties of N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 90656817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).