4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate

C16H15FN3O3- — CID 7309764

IUPAC4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
SMILESO=C([O-])CCCn1cc(NC(=O)/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C16H16FN3O3/c17-13-6-3-12(4-7-13)5-8-15(21)19-14-10-18-20(11-14)9-1-2-16(22)23/h3-8,10-11H,1-2,9H2,(H,19,21)(H,22,23)/p-1/b8-5+
InChIKeyJMWOONVIHDHUGE-VMPITWQZSA-M
MW316.31 g/mol
LogP1.20
Rot. Bonds7

About 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate

4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate (PubChem CID 7309764) has the molecular formula C16H15FN3O3- and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate.

Molecular Properties

Compound Name4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
PubChem CID7309764
Molecular FormulaC16H15FN3O3-
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
SMILESO=C([O-])CCCn1cc(NC(=O)/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C16H16FN3O3/c17-13-6-3-12(4-7-13)5-8-15(21)19-14-10-18-20(11-14)9-1-2-16(22)23/h3-8,10-11H,1-2,9H2,(H,19,21)(H,22,23)/p-1/b8-5+
InChIKeyJMWOONVIHDHUGE-VMPITWQZSA-M
XLogP1.20
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-(4-fluorophenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]prop-2-enamide
CID 19410926
4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
CID 7353542
(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
CID 97359500
(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855
4-[4-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]butanoate
CID 6987805
3-(1,5-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 5234112
4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate
CID 7298444
(E)-3-(4-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
CID 51098152
(E)-3-(2-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19409875
(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(5-oxohexyl)pyrazol-4-yl]prop-2-enamide
CID 66929528
(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19340489
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate?
The IUPAC name of 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate (CID 7309764) is 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate.
What is the SMILES notation for 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate?
The canonical SMILES for 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate is O=C([O-])CCCn1cc(NC(=O)/C=C/c2ccc(F)cc2)cn1.
What is the InChIKey of 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate?
The InChIKey is JMWOONVIHDHUGE-VMPITWQZSA-M. The full InChI is InChI=1S/C16H16FN3O3/c17-13-6-3-12(4-7-13)5-8-15(21)19-14-10-18-20(11-14)9-1-2-16(22)23/h3-8,10-11H,1-2,9H2,(H,19,21)(H,22,23)/p-1/b8-5+.
What are the key properties of 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate?
4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate has a molecular weight of 316.31 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate is sourced from PubChem (CID 7309764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).