benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate

C16H15N3O2 — CID 154929111

IUPACbenzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate
SMILESN#Cc1cnn(C2CCC2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c17-8-13-9-18-19(10-13)15-7-6-14(15)16(20)21-11-12-4-2-1-3-5-12/h1-5,9-10,14-15H,6-7,11H2
InChIKeyFZLSLNHZGUOCFR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.45
Rot. Bonds4

About benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate

benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate (PubChem CID 154929111) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate
PubChem CID154929111
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Namebenzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate
SMILESN#Cc1cnn(C2CCC2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c17-8-13-9-18-19(10-13)15-7-6-14(15)16(20)21-11-12-4-2-1-3-5-12/h1-5,9-10,14-15H,6-7,11H2
InChIKeyFZLSLNHZGUOCFR-UHFFFAOYSA-N
XLogP2.45
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393
1-phenylmethoxypyrazole-4-carbonitrile
CID 10703150
trans-benzyl (1S,2S)-2-phenacylcyclopropane-1-carboxylate
CID 101156160
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
CID 154728884
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
7-O-benzyl 2-O-ethyl 7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate
CID 118353248
dibenzyl (3S,4S)-1-cyclopentylpyrrolidine-3,4-dicarboxylate
CID 164643868
dibenzyl bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 141428986
benzyl 2-(1,1-difluoroethyl)cyclopropane-1-carboxylate
CID 175348269

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate?
The IUPAC name of benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate (CID 154929111) is benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate?
The canonical SMILES for benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate is N#Cc1cnn(C2CCC2C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate?
The InChIKey is FZLSLNHZGUOCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-8-13-9-18-19(10-13)15-7-6-14(15)16(20)21-11-12-4-2-1-3-5-12/h1-5,9-10,14-15H,6-7,11H2.
What are the key properties of benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate?
benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-cyanopyrazol-1-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 154929111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).