1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C20H22N4O2S — CID 131909926

IUPAC1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H22N4O2S/c1-23-18(13-17(22-23)19-7-4-12-27-19)20(25)21-16-6-3-2-5-15(16)14-24-8-10-26-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,21,25)
InChIKeyKRDPGXOZSDCTBO-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.23
Rot. Bonds5

About 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide

1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 131909926) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID131909926
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H22N4O2S/c1-23-18(13-17(22-23)19-7-4-12-27-19)20(25)21-16-6-3-2-5-15(16)14-24-8-10-26-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,21,25)
InChIKeyKRDPGXOZSDCTBO-UHFFFAOYSA-N
XLogP3.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 71805067
4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 166295875
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 37216173
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120644858
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 3981821
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 131909926) is 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide is Cn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is KRDPGXOZSDCTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-23-18(13-17(22-23)19-7-4-12-27-19)20(25)21-16-6-3-2-5-15(16)14-24-8-10-26-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 131909926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).