1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide

C24H30N4O3 — CID 134039015

IUPAC1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
SMILESCc1ccc(C(CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)N2CCOCC2)o1
InChIInChI=1S/C24H30N4O3/c1-17-9-10-22(31-17)21(27-11-13-30-14-12-27)15-25-24(29)23-18(2)26-28(19(23)3)16-20-7-5-4-6-8-20/h4-10,21H,11-16H2,1-3H3,(H,25,29)
InChIKeyBUWXXRWTGFKZSK-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.25
Rot. Bonds7

About 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide

1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide (PubChem CID 134039015) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
PubChem CID134039015
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
SMILESCc1ccc(C(CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)N2CCOCC2)o1
InChIInChI=1S/C24H30N4O3/c1-17-9-10-22(31-17)21(27-11-13-30-14-12-27)15-25-24(29)23-18(2)26-28(19(23)3)16-20-7-5-4-6-8-20/h4-10,21H,11-16H2,1-3H3,(H,25,29)
InChIKeyBUWXXRWTGFKZSK-UHFFFAOYSA-N
XLogP3.25
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41117308
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088189
1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088187
4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
CID 74232564
1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
CID 29230028
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 17430964
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
CID 51283092
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 18164203

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide (CID 134039015) is 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide is Cc1ccc(C(CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)N2CCOCC2)o1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The InChIKey is BUWXXRWTGFKZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17-9-10-22(31-17)21(27-11-13-30-14-12-27)15-25-24(29)23-18(2)26-28(19(23)3)16-20-7-5-4-6-8-20/h4-10,21H,11-16H2,1-3H3,(H,25,29).
What are the key properties of 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134039015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).