cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate

C17H18F2N2O2 — CID 167058198

IUPACcyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate
SMILESCn1nc(CCC(=O)OCC2CC2)cc1-c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O2/c1-21-16(14-6-4-12(18)8-15(14)19)9-13(20-21)5-7-17(22)23-10-11-2-3-11/h4,6,8-9,11H,2-3,5,7,10H2,1H3
InChIKeyIVGLFGVIZBOVFY-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.25
Rot. Bonds6

About cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate

cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate (PubChem CID 167058198) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate
PubChem CID167058198
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Namecyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate
SMILESCn1nc(CCC(=O)OCC2CC2)cc1-c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O2/c1-21-16(14-6-4-12(18)8-15(14)19)9-13(20-21)5-7-17(22)23-10-11-2-3-11/h4,6,8-9,11H,2-3,5,7,10H2,1H3
InChIKeyIVGLFGVIZBOVFY-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)-4-piperidinecarboxylate
CID 16188927
ethyl 1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)piperidine-4-carboxylate
CID 16190624
[2-(3,5-Dimethylpyrazol-1-yl)cyclohexyl] 3-phenylpropanoate
CID 4418252
ethyl 4-(3-fluorobenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxylate
CID 16190804
ethyl 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)-4-piperidinecarboxylate
CID 16190367
ethyl 1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 25295504
ethyl 1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 26392975
3-[5-(4-Tert-butylphenyl)-1-methylpyrazol-3-yl]propanoic acid
CID 94772014
9-(3,5-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 15725728
ethyl 4-(3-fluorobenzyl)-1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxylate
CID 16190364
2-[(Phenyl)-(3,5-dimethyl-pyrazol-1-yl)-methyl]-malonic acid diethyl ester
CID 129880857
methyl (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
CID 16667837

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate?
The IUPAC name of cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate (CID 167058198) is cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate.
What is the SMILES notation for cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate?
The canonical SMILES for cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate is Cn1nc(CCC(=O)OCC2CC2)cc1-c1ccc(F)cc1F.
What is the InChIKey of cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate?
The InChIKey is IVGLFGVIZBOVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-21-16(14-6-4-12(18)8-15(14)19)9-13(20-21)5-7-17(22)23-10-11-2-3-11/h4,6,8-9,11H,2-3,5,7,10H2,1H3.
What are the key properties of cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate?
cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate has a molecular weight of 320.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate is sourced from PubChem (CID 167058198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).