ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate

C17H20N2O2 — CID 63274986

IUPACethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cccc(C)c2)c1C1CC1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)15-10-18-19(16(15)14-7-8-14)11-13-6-4-5-12(2)9-13/h4-6,9-10,14H,3,7-8,11H2,1-2H3
InChIKeyYICHEBFMDTVEDZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.29
Rot. Bonds5

About ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate (PubChem CID 63274986) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate
PubChem CID63274986
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cccc(C)c2)c1C1CC1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)15-10-18-19(16(15)14-7-8-14)11-13-6-4-5-12(2)9-13/h4-6,9-10,14H,3,7-8,11H2,1-2H3
InChIKeyYICHEBFMDTVEDZ-UHFFFAOYSA-N
XLogP3.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate (CID 63274986) is ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2cccc(C)c2)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate?
The InChIKey is YICHEBFMDTVEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-17(20)15-10-18-19(16(15)14-7-8-14)11-13-6-4-5-12(2)9-13/h4-6,9-10,14H,3,7-8,11H2,1-2H3.
What are the key properties of ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 63274986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).