5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C17H22N4OS — CID 53171152

IUPAC5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1cc2c(s1)CN(C1CC1)C2
InChIInChI=1S/C17H22N4OS/c1-11-13(8-20(3)18-11)7-19(2)17(22)15-6-12-9-21(14-4-5-14)10-16(12)23-15/h6,8,14H,4-5,7,9-10H2,1-3H3
InChIKeyVCFPHFPGOBPJAC-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.54
Rot. Bonds4

About 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171152) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171152
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1cc2c(s1)CN(C1CC1)C2
InChIInChI=1S/C17H22N4OS/c1-11-13(8-20(3)18-11)7-19(2)17(22)15-6-12-9-21(14-4-5-14)10-16(12)23-15/h6,8,14H,4-5,7,9-10H2,1-3H3
InChIKeyVCFPHFPGOBPJAC-UHFFFAOYSA-N
XLogP2.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171152) is 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is Cc1nn(C)cc1CN(C)C(=O)c1cc2c(s1)CN(C1CC1)C2.
What is the InChIKey of 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is VCFPHFPGOBPJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11-13(8-20(3)18-11)7-19(2)17(22)15-6-12-9-21(14-4-5-14)10-16(12)23-15/h6,8,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).