[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

C11H12N4OS — CID 110257828

IUPAC[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C11H12N4OS/c16-11(10-6-12-7-17-10)15-5-1-2-9(15)8-3-4-13-14-8/h3-4,6-7,9H,1-2,5H2,(H,13,14)
InChIKeyJCXYWBJFSZRPCU-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.84
Rot. Bonds2

About [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 110257828) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID110257828
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C11H12N4OS/c16-11(10-6-12-7-17-10)15-5-1-2-9(15)8-3-4-13-14-8/h3-4,6-7,9H,1-2,5H2,(H,13,14)
InChIKeyJCXYWBJFSZRPCU-UHFFFAOYSA-N
XLogP1.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 110257828) is [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCC1c1ccn[nH]1.
What is the InChIKey of [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is JCXYWBJFSZRPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-11(10-6-12-7-17-10)15-5-1-2-9(15)8-3-4-13-14-8/h3-4,6-7,9H,1-2,5H2,(H,13,14).
What are the key properties of [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 248.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110257828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).