methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate

C14H18FN3O3 — CID 155958341

IUPACmethyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C2CCN(C(=O)C3(F)CC3)CC2)[nH]n1
InChIInChI=1S/C14H18FN3O3/c1-21-12(19)11-8-10(16-17-11)9-2-6-18(7-3-9)13(20)14(15)4-5-14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyVRSVDCGSFMNILN-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.40
Rot. Bonds3

About methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate

methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate (PubChem CID 155958341) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
PubChem CID155958341
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Namemethyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C2CCN(C(=O)C3(F)CC3)CC2)[nH]n1
InChIInChI=1S/C14H18FN3O3/c1-21-12(19)11-8-10(16-17-11)9-2-6-18(7-3-9)13(20)14(15)4-5-14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyVRSVDCGSFMNILN-UHFFFAOYSA-N
XLogP1.40
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate?
The IUPAC name of methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate (CID 155958341) is methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate is COC(=O)c1cc(C2CCN(C(=O)C3(F)CC3)CC2)[nH]n1.
What is the InChIKey of methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate?
The InChIKey is VRSVDCGSFMNILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-21-12(19)11-8-10(16-17-11)9-2-6-18(7-3-9)13(20)14(15)4-5-14/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate?
methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(1-fluorocyclopropanecarbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 155958341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).