1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide

C18H26N4O3S — CID 39045690

IUPAC1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC
InChIInChI=1S/C18H26N4O3S/c1-5-22-17(10-16(21-22)13(2)3)18(23)20-11-14-8-6-7-9-15(14)12-26(24,25)19-4/h6-10,13,19H,5,11-12H2,1-4H3,(H,20,23)
InChIKeyBTQDNPKURAGSDX-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.01
Rot. Bonds8

About 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 39045690) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID39045690
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC
InChIInChI=1S/C18H26N4O3S/c1-5-22-17(10-16(21-22)13(2)3)18(23)20-11-14-8-6-7-9-15(14)12-26(24,25)19-4/h6-10,13,19H,5,11-12H2,1-4H3,(H,20,23)
InChIKeyBTQDNPKURAGSDX-UHFFFAOYSA-N
XLogP2.01
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
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1-ethyl-N-[(3-methylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
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CID 65109682
1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 78890944
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CID 31942147
3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 46105471
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CID 71935421
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 39045690) is 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC.
What is the InChIKey of 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is BTQDNPKURAGSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-5-22-17(10-16(21-22)13(2)3)18(23)20-11-14-8-6-7-9-15(14)12-26(24,25)19-4/h6-10,13,19H,5,11-12H2,1-4H3,(H,20,23).
What are the key properties of 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 39045690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).