1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide

C24H30N4O2S — CID 55509705

IUPAC1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC1CN(CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC(C)O1
InChIInChI=1S/C24H30N4O2S/c1-18-14-27(15-19(2)30-18)12-7-11-25-24(29)21-17-28(16-20-8-4-3-5-9-20)26-23(21)22-10-6-13-31-22/h3-6,8-10,13,17-19H,7,11-12,14-16H2,1-2H3,(H,25,29)
InChIKeyCZNHQZFEWQYUGK-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.89
Rot. Bonds8

About 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide

1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 55509705) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID55509705
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC1CN(CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC(C)O1
InChIInChI=1S/C24H30N4O2S/c1-18-14-27(15-19(2)30-18)12-7-11-25-24(29)21-17-28(16-20-8-4-3-5-9-20)26-23(21)22-10-6-13-31-22/h3-6,8-10,13,17-19H,7,11-12,14-16H2,1-2H3,(H,25,29)
InChIKeyCZNHQZFEWQYUGK-UHFFFAOYSA-N
XLogP3.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46434281
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1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17474823
1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
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1-benzyl-N-[3-(2-methylpropoxy)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24628977
1-benzyl-N-[2-(cyclohexanecarbonylamino)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55805749
1-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17449182
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
1-benzyl-N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 29352915
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46454982
1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide (CID 55509705) is 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide is CC1CN(CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC(C)O1.
What is the InChIKey of 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is CZNHQZFEWQYUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-18-14-27(15-19(2)30-18)12-7-11-25-24(29)21-17-28(16-20-8-4-3-5-9-20)26-23(21)22-10-6-13-31-22/h3-6,8-10,13,17-19H,7,11-12,14-16H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55509705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).