1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C21H27N5O4S — CID 66988766

IUPAC1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1cn(S(C)(=O)=O)c2ccc(-c3cc(C(=O)NCCN4CCOCC4)nn3C)cc12
InChIInChI=1S/C21H27N5O4S/c1-15-14-26(31(3,28)29)19-5-4-16(12-17(15)19)20-13-18(23-24(20)2)21(27)22-6-7-25-8-10-30-11-9-25/h4-5,12-14H,6-11H2,1-3H3,(H,22,27)
InChIKeyCJHKMBLUOIXTAT-UHFFFAOYSA-N
MW445.55 g/mol
LogP1.22
Rot. Bonds6

About 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 66988766) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID66988766
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC Name1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1cn(S(C)(=O)=O)c2ccc(-c3cc(C(=O)NCCN4CCOCC4)nn3C)cc12
InChIInChI=1S/C21H27N5O4S/c1-15-14-26(31(3,28)29)19-5-4-16(12-17(15)19)20-13-18(23-24(20)2)21(27)22-6-7-25-8-10-30-11-9-25/h4-5,12-14H,6-11H2,1-3H3,(H,22,27)
InChIKeyCJHKMBLUOIXTAT-UHFFFAOYSA-N
XLogP1.22
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 110305501
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 110336758
1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 46847550
5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 46208539
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
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CID 110357218
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
7-(1,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468313
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
2-(diethylamino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325331
5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279011

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 66988766) is 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Cc1cn(S(C)(=O)=O)c2ccc(-c3cc(C(=O)NCCN4CCOCC4)nn3C)cc12.
What is the InChIKey of 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is CJHKMBLUOIXTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-15-14-26(31(3,28)29)19-5-4-16(12-17(15)19)20-13-18(23-24(20)2)21(27)22-6-7-25-8-10-30-11-9-25/h4-5,12-14H,6-11H2,1-3H3,(H,22,27).
What are the key properties of 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 66988766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).