[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

C17H17N5OS — CID 56824923

IUPAC[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCn1cc(C2CCCN2C(=O)c2cnc(-c3ccccn3)s2)cn1
InChIInChI=1S/C17H17N5OS/c1-21-11-12(9-20-21)14-6-4-8-22(14)17(23)15-10-19-16(24-15)13-5-2-3-7-18-13/h2-3,5,7,9-11,14H,4,6,8H2,1H3
InChIKeyCKFALLKXTJILMI-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.92
Rot. Bonds3

About [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 56824923) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID56824923
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCn1cc(C2CCCN2C(=O)c2cnc(-c3ccccn3)s2)cn1
InChIInChI=1S/C17H17N5OS/c1-21-11-12(9-20-21)14-6-4-8-22(14)17(23)15-10-19-16(24-15)13-5-2-3-7-18-13/h2-3,5,7,9-11,14H,4,6,8H2,1H3
InChIKeyCKFALLKXTJILMI-UHFFFAOYSA-N
XLogP2.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 56824923) is [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is Cn1cc(C2CCCN2C(=O)c2cnc(-c3ccccn3)s2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is CKFALLKXTJILMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21-11-12(9-20-21)14-6-4-8-22(14)17(23)15-10-19-16(24-15)13-5-2-3-7-18-13/h2-3,5,7,9-11,14H,4,6,8H2,1H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56824923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).