ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate

C14H18N4O2 — CID 116630344

IUPACethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1Cn1ccc(C2CC2)n1
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)11-8-15-17(2)13(11)9-18-7-6-12(16-18)10-4-5-10/h6-8,10H,3-5,9H2,1-2H3
InChIKeyAPZIJIIRFTXWLC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.72
Rot. Bonds5

About ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate (PubChem CID 116630344) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
PubChem CID116630344
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1Cn1ccc(C2CC2)n1
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)11-8-15-17(2)13(11)9-18-7-6-12(16-18)10-4-5-10/h6-8,10H,3-5,9H2,1-2H3
InChIKeyAPZIJIIRFTXWLC-UHFFFAOYSA-N
XLogP1.72
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-cyclopropylpyrazol-1-yl)acetate
CID 25247560
ethyl 1-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630254
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631754
ethyl 5-[(2,7-dioxoazepan-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630223
ethyl 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1-methylpyrazole-4-carboxylate
CID 116632429
ethyl 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116632169
ethyl 5-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 102782160
ethyl 5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116632162
ethyl 1-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574199
ethyl 1-methyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574200
ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630256
ethyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116631859

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate (CID 116630344) is ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1Cn1ccc(C2CC2)n1.
What is the InChIKey of ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is APZIJIIRFTXWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-14(19)11-8-15-17(2)13(11)9-18-7-6-12(16-18)10-4-5-10/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 116630344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).