5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

C15H15N5O2S — CID 99875452

IUPAC5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccs2)C1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H15N5O2S/c21-14(12-8-11(18-19-12)13-2-1-6-22-13)17-10-3-5-20(9-10)15-16-4-7-23-15/h1-2,4,6-8,10H,3,5,9H2,(H,17,21)(H,18,19)/t10-/m0/s1
InChIKeyJIUNGEUXZOBNEF-JTQLQIEISA-N
MW329.39 g/mol
LogP2.13
Rot. Bonds4

About 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 99875452) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID99875452
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccs2)C1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H15N5O2S/c21-14(12-8-11(18-19-12)13-2-1-6-22-13)17-10-3-5-20(9-10)15-16-4-7-23-15/h1-2,4,6-8,10H,3,5,9H2,(H,17,21)(H,18,19)/t10-/m0/s1
InChIKeyJIUNGEUXZOBNEF-JTQLQIEISA-N
XLogP2.13
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (CID 99875452) is 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccs2)C1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is JIUNGEUXZOBNEF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-14(12-8-11(18-19-12)13-2-1-6-22-13)17-10-3-5-20(9-10)15-16-4-7-23-15/h1-2,4,6-8,10H,3,5,9H2,(H,17,21)(H,18,19)/t10-/m0/s1.
What are the key properties of 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 99875452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).