2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole

C12H13N3S — CID 126834072

IUPAC2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole
SMILESC(=Cc1ccnn1CC1CC1)c1nccs1
InChIInChI=1S/C12H13N3S/c1-2-10(1)9-15-11(5-6-14-15)3-4-12-13-7-8-16-12/h3-8,10H,1-2,9H2
InChIKeyPGJVDHNSSPXOGA-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole

2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole (PubChem CID 126834072) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole
PubChem CID126834072
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole
SMILESC(=Cc1ccnn1CC1CC1)c1nccs1
InChIInChI=1S/C12H13N3S/c1-2-10(1)9-15-11(5-6-14-15)3-4-12-13-7-8-16-12/h3-8,10H,1-2,9H2
InChIKeyPGJVDHNSSPXOGA-UHFFFAOYSA-N
XLogP2.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole?
The IUPAC name of 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole (CID 126834072) is 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole is C(=Cc1ccnn1CC1CC1)c1nccs1.
What is the InChIKey of 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole?
The InChIKey is PGJVDHNSSPXOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-10(1)9-15-11(5-6-14-15)3-4-12-13-7-8-16-12/h3-8,10H,1-2,9H2.
What are the key properties of 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole?
2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole has a molecular weight of 231.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethenyl]-1,3-thiazole is sourced from PubChem (CID 126834072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).