ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid

C21H23FN4O2 — CID 90465181

IUPACethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid
SMILESCCN(C(=O)O)c1cc(-c2cn(CC(C)C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H23FN4O2/c1-4-26(21(27)28)19-11-16(9-10-23-19)18-13-25(12-14(2)3)24-20(18)15-5-7-17(22)8-6-15/h5-11,13-14H,4,12H2,1-3H3,(H,27,28)
InChIKeyZLIPZZVIGKLOJR-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.91
Rot. Bonds6

About ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid

ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid (PubChem CID 90465181) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Nameethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid
PubChem CID90465181
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Nameethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid
SMILESCCN(C(=O)O)c1cc(-c2cn(CC(C)C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H23FN4O2/c1-4-26(21(27)28)19-11-16(9-10-23-19)18-13-25(12-14(2)3)24-20(18)15-5-7-17(22)8-6-15/h5-11,13-14H,4,12H2,1-3H3,(H,27,28)
InChIKeyZLIPZZVIGKLOJR-UHFFFAOYSA-N
XLogP4.91
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid (CID 90465181) is ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid is CCN(C(=O)O)c1cc(-c2cn(CC(C)C)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid?
The InChIKey is ZLIPZZVIGKLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-4-26(21(27)28)19-11-16(9-10-23-19)18-13-25(12-14(2)3)24-20(18)15-5-7-17(22)8-6-15/h5-11,13-14H,4,12H2,1-3H3,(H,27,28).
What are the key properties of ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid?
ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid has a molecular weight of 382.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 90465181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).