5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide

C20H24N4O2S — CID 45193553

IUPAC5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc(C2CCCN2Cc2ccco2)s1
InChIInChI=1S/C20H24N4O2S/c1-13-19(14(2)23(3)22-13)21-20(25)18-9-8-17(27-18)16-7-4-10-24(16)12-15-6-5-11-26-15/h5-6,8-9,11,16H,4,7,10,12H2,1-3H3,(H,21,25)
InChIKeyLCFVTTISBWASEV-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.28
Rot. Bonds5

About 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide

5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 45193553) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID45193553
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc(C2CCCN2Cc2ccco2)s1
InChIInChI=1S/C20H24N4O2S/c1-13-19(14(2)23(3)22-13)21-20(25)18-9-8-17(27-18)16-7-4-10-24(16)12-15-6-5-11-26-15/h5-6,8-9,11,16H,4,7,10,12H2,1-3H3,(H,21,25)
InChIKeyLCFVTTISBWASEV-UHFFFAOYSA-N
XLogP4.28
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 31105543
5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide
CID 29023222
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 28980406
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 30698931
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197540
N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134702967
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17401356
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125676
5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125678
N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29184528
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide (CID 45193553) is 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1ccc(C2CCCN2Cc2ccco2)s1.
What is the InChIKey of 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is LCFVTTISBWASEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-19(14(2)23(3)22-13)21-20(25)18-9-8-17(27-18)16-7-4-10-24(16)12-15-6-5-11-26-15/h5-6,8-9,11,16H,4,7,10,12H2,1-3H3,(H,21,25).
What are the key properties of 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide?
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 45193553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).