ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate

C18H23FN4O2 — CID 23084852

IUPACethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2nn(C)c(N)c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O2/c1-3-25-18(24)23-10-8-13(9-11-23)16-15(17(20)22(2)21-16)12-4-6-14(19)7-5-12/h4-7,13H,3,8-11,20H2,1-2H3
InChIKeyGUKYISKFXAINJJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.14
Rot. Bonds3

About ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate

ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 23084852) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate
PubChem CID23084852
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Nameethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2nn(C)c(N)c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O2/c1-3-25-18(24)23-10-8-13(9-11-23)16-15(17(20)22(2)21-16)12-4-6-14(19)7-5-12/h4-7,13H,3,8-11,20H2,1-2H3
InChIKeyGUKYISKFXAINJJ-UHFFFAOYSA-N
XLogP3.14
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate (CID 23084852) is ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2nn(C)c(N)c2-c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is GUKYISKFXAINJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-25-18(24)23-10-8-13(9-11-23)16-15(17(20)22(2)21-16)12-4-6-14(19)7-5-12/h4-7,13H,3,8-11,20H2,1-2H3.
What are the key properties of ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate?
ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-amino-4-(4-fluorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 23084852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).