(2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone

C16H18N6OS — CID 29185126

IUPAC(2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C16H18N6OS/c1-20-15(2-6-17-20)16(23)21-7-3-13(4-8-21)22-10-14(18-19-22)12-5-9-24-11-12/h2,5-6,9-11,13H,3-4,7-8H2,1H3
InChIKeyRREWQJHMFNXEOO-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.22
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 29185126) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
PubChem CID29185126
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name(2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C16H18N6OS/c1-20-15(2-6-17-20)16(23)21-7-3-13(4-8-21)22-10-14(18-19-22)12-5-9-24-11-12/h2,5-6,9-11,13H,3-4,7-8H2,1H3
InChIKeyRREWQJHMFNXEOO-UHFFFAOYSA-N
XLogP2.22
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone (CID 29185126) is (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC(n2cc(-c3ccsc3)nn2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is RREWQJHMFNXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-20-15(2-6-17-20)16(23)21-7-3-13(4-8-21)22-10-14(18-19-22)12-5-9-24-11-12/h2,5-6,9-11,13H,3-4,7-8H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 342.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 29185126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).