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

C16H16N6OS — CID 56779325

IUPAC[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ncccn2)s1)N1CCCC1Cn1cccn1
InChIInChI=1S/C16H16N6OS/c23-16(13-10-19-15(24-13)14-17-5-2-6-18-14)22-9-1-4-12(22)11-21-8-3-7-20-21/h2-3,5-8,10,12H,1,4,9,11H2
InChIKeyHYBLHNKQIBFJTO-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.10
Rot. Bonds4

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

[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 56779325) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID56779325
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ncccn2)s1)N1CCCC1Cn1cccn1
InChIInChI=1S/C16H16N6OS/c23-16(13-10-19-15(24-13)14-17-5-2-6-18-14)22-9-1-4-12(22)11-21-8-3-7-20-21/h2-3,5-8,10,12H,1,4,9,11H2
InChIKeyHYBLHNKQIBFJTO-UHFFFAOYSA-N
XLogP2.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (CID 56779325) is [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is O=C(c1cnc(-c2ncccn2)s1)N1CCCC1Cn1cccn1.
What is the InChIKey of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is HYBLHNKQIBFJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(13-10-19-15(24-13)14-17-5-2-6-18-14)22-9-1-4-12(22)11-21-8-3-7-20-21/h2-3,5-8,10,12H,1,4,9,11H2.
What are the key properties of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 340.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56779325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).