ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate

C19H23FN4O3 — CID 26355254

IUPACethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2)c1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C19H23FN4O3/c1-2-27-19(26)16-11-22-24(15-5-3-14(20)4-6-15)17(16)12-23-9-7-13(8-10-23)18(21)25/h3-6,11,13H,2,7-10,12H2,1H3,(H2,21,25)
InChIKeyGHIZFOMCPTZZEO-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.89
Rot. Bonds6

About ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate

ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate (PubChem CID 26355254) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate
PubChem CID26355254
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Nameethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2)c1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C19H23FN4O3/c1-2-27-19(26)16-11-22-24(15-5-3-14(20)4-6-15)17(16)12-23-9-7-13(8-10-23)18(21)25/h3-6,11,13H,2,7-10,12H2,1H3,(H2,21,25)
InChIKeyGHIZFOMCPTZZEO-UHFFFAOYSA-N
XLogP1.89
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate (CID 26355254) is ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(F)cc2)c1CN1CCC(C(N)=O)CC1.
What is the InChIKey of ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The InChIKey is GHIZFOMCPTZZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-27-19(26)16-11-22-24(15-5-3-14(20)4-6-15)17(16)12-23-9-7-13(8-10-23)18(21)25/h3-6,11,13H,2,7-10,12H2,1H3,(H2,21,25).
What are the key properties of ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate?
ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-carbamoylpiperidin-1-yl)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 26355254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).