ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

C17H16N4O2S — CID 46889158

IUPACethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CC2)[nH]n1
InChIInChI=1S/C17H16N4O2S/c1-2-23-17(22)13-8-12(20-21-13)15-14(10-5-6-10)19-16(24-15)11-4-3-7-18-9-11/h3-4,7-10H,2,5-6H2,1H3,(H,20,21)
InChIKeyQDZMDPCQYPTXSL-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.65
Rot. Bonds5

About ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate (PubChem CID 46889158) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
PubChem CID46889158
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Nameethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CC2)[nH]n1
InChIInChI=1S/C17H16N4O2S/c1-2-23-17(22)13-8-12(20-21-13)15-14(10-5-6-10)19-16(24-15)11-4-3-7-18-9-11/h3-4,7-10H,2,5-6H2,1H3,(H,20,21)
InChIKeyQDZMDPCQYPTXSL-UHFFFAOYSA-N
XLogP3.65
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate (CID 46889158) is ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CC2)[nH]n1.
What is the InChIKey of ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The InChIKey is QDZMDPCQYPTXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-2-23-17(22)13-8-12(20-21-13)15-14(10-5-6-10)19-16(24-15)11-4-3-7-18-9-11/h3-4,7-10H,2,5-6H2,1H3,(H,20,21).
What are the key properties of ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate has a molecular weight of 340.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-cyclopropyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 46889158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).