(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

C18H17N3O5 — CID 46481076

IUPAC(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1oc(COC(=O)c2cnn(-c3ccccn3)c2C)cc1C
InChIInChI=1S/C18H17N3O5/c1-11-8-13(26-16(11)18(23)24-3)10-25-17(22)14-9-20-21(12(14)2)15-6-4-5-7-19-15/h4-9H,10H2,1-3H3
InChIKeyCRNOECUKBJQRJM-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.62
Rot. Bonds5

About (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 46481076) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID46481076
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1oc(COC(=O)c2cnn(-c3ccccn3)c2C)cc1C
InChIInChI=1S/C18H17N3O5/c1-11-8-13(26-16(11)18(23)24-3)10-25-17(22)14-9-20-21(12(14)2)15-6-4-5-7-19-15/h4-9H,10H2,1-3H3
InChIKeyCRNOECUKBJQRJM-UHFFFAOYSA-N
XLogP2.62
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
[4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629616
methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 46600954
(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641210
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641236
N-(2-ethyl-6-methylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825168
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46425811
[2-(N-methylanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629523
[2-(4-chloroanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641337
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46425848

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 46481076) is (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is COC(=O)c1oc(COC(=O)c2cnn(-c3ccccn3)c2C)cc1C.
What is the InChIKey of (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is CRNOECUKBJQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-11-8-13(26-16(11)18(23)24-3)10-25-17(22)14-9-20-21(12(14)2)15-6-4-5-7-19-15/h4-9H,10H2,1-3H3.
What are the key properties of (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 46481076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).