[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate

C17H16N4O2S — CID 75392782

IUPAC[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate
SMILESCc1ccn(-c2cc(COC(=O)c3scnc3C3CC3)ccn2)n1
InChIInChI=1S/C17H16N4O2S/c1-11-5-7-21(20-11)14-8-12(4-6-18-14)9-23-17(22)16-15(13-2-3-13)19-10-24-16/h4-8,10,13H,2-3,9H2,1H3
InChIKeyWIIDKUQHCMLWNM-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.27
Rot. Bonds5

About [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate

[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate (PubChem CID 75392782) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate
PubChem CID75392782
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate
SMILESCc1ccn(-c2cc(COC(=O)c3scnc3C3CC3)ccn2)n1
InChIInChI=1S/C17H16N4O2S/c1-11-5-7-21(20-11)14-8-12(4-6-18-14)9-23-17(22)16-15(13-2-3-13)19-10-24-16/h4-8,10,13H,2-3,9H2,1H3
InChIKeyWIIDKUQHCMLWNM-UHFFFAOYSA-N
XLogP3.27
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate (CID 75392782) is [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate is Cc1ccn(-c2cc(COC(=O)c3scnc3C3CC3)ccn2)n1.
What is the InChIKey of [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate?
The InChIKey is WIIDKUQHCMLWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-5-7-21(20-11)14-8-12(4-6-18-14)9-23-17(22)16-15(13-2-3-13)19-10-24-16/h4-8,10,13H,2-3,9H2,1H3.
What are the key properties of [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate?
[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate has a molecular weight of 340.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl 4-cyclopropyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 75392782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).