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

C19H26N4OS — CID 53171309

IUPAC5-cyclopentyl-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(C1CCCC1)C2
InChIInChI=1S/C19H26N4OS/c1-13-15(10-22(3)20-13)9-21(2)19(24)17-8-14-11-23(12-18(14)25-17)16-6-4-5-7-16/h8,10,16H,4-7,9,11-12H2,1-3H3
InChIKeyNBFAHFYVVHRSAH-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.32
Rot. Bonds4

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

5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171309) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171309
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name5-cyclopentyl-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(C1CCCC1)C2
InChIInChI=1S/C19H26N4OS/c1-13-15(10-22(3)20-13)9-21(2)19(24)17-8-14-11-23(12-18(14)25-17)16-6-4-5-7-16/h8,10,16H,4-7,9,11-12H2,1-3H3
InChIKeyNBFAHFYVVHRSAH-UHFFFAOYSA-N
XLogP3.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171309) is 5-cyclopentyl-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-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-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(C1CCCC1)C2.
What is the InChIKey of 5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is NBFAHFYVVHRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-15(10-22(3)20-13)9-21(2)19(24)17-8-14-11-23(12-18(14)25-17)16-6-4-5-7-16/h8,10,16H,4-7,9,11-12H2,1-3H3.
What are the key properties of 5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).