[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C16H18N6OS — CID 56779274

IUPAC[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(-c2nc(C(=O)N3CCCC3Cn3cccn3)cs2)cn1
InChIInChI=1S/C16H18N6OS/c1-20-9-12(8-18-20)15-19-14(11-24-15)16(23)22-7-2-4-13(22)10-21-6-3-5-17-21/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3
InChIKeyGVUNQQIURXNTPS-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.04
Rot. Bonds4

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

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 56779274) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID56779274
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(-c2nc(C(=O)N3CCCC3Cn3cccn3)cs2)cn1
InChIInChI=1S/C16H18N6OS/c1-20-9-12(8-18-20)15-19-14(11-24-15)16(23)22-7-2-4-13(22)10-21-6-3-5-17-21/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3
InChIKeyGVUNQQIURXNTPS-UHFFFAOYSA-N
XLogP2.04
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 56779274) is [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is Cn1cc(-c2nc(C(=O)N3CCCC3Cn3cccn3)cs2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GVUNQQIURXNTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-20-9-12(8-18-20)15-19-14(11-24-15)16(23)22-7-2-4-13(22)10-21-6-3-5-17-21/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 342.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).