ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate

C14H18N4O2 — CID 118617465

IUPACethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(C3CC3)nn2C)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-4-20-14(19)11-8-13(18(3)16-11)12-7-10(9-5-6-9)15-17(12)2/h7-9H,4-6H2,1-3H3
InChIKeyXAJNZUSSSLCJKA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.87
Rot. Bonds4

About ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate

ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate (PubChem CID 118617465) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
PubChem CID118617465
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(C3CC3)nn2C)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-4-20-14(19)11-8-13(18(3)16-11)12-7-10(9-5-6-9)15-17(12)2/h7-9H,4-6H2,1-3H3
InChIKeyXAJNZUSSSLCJKA-UHFFFAOYSA-N
XLogP1.87
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 4166529
Ethyl 1-methyl-5-phenyl-1H-pyrazole-3-carboxylate
CID 7537623
Ethyl 1-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 4083925
ethyl 5-[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]-1H-pyrazole-3-carboxylate
CID 165475889
Methyl 1-methyl-5-phenyl-1h-pyrazole-3-carboxylate
CID 21766260
Ethyl 1-ethyl-5-phenyl-1H-pyrazole-3-carboxylate
CID 21766313
ethyl 1-isobutyl-5-phenyl-1H-pyrazole-3-carboxylate
CID 57612398
Ethyl 1-methyl-5-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 58538734
Ethyl 1,4-dimethyl-5-phenyl-1H-pyrazole-3-carboxylate
CID 59146318
Methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
CID 59946915
Methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
CID 59946932
Ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
CID 59946948

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate (CID 118617465) is ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cc(C3CC3)nn2C)n(C)n1.
What is the InChIKey of ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate?
The InChIKey is XAJNZUSSSLCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-20-14(19)11-8-13(18(3)16-11)12-7-10(9-5-6-9)15-17(12)2/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate?
ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 118617465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).