methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate

C14H15FN2O2 — CID 91704350

IUPACmethyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate
SMILESCOC(=O)C1=NN(c2ccc(F)cc2)C(C2CC2)C1
InChIInChI=1S/C14H15FN2O2/c1-19-14(18)12-8-13(9-2-3-9)17(16-12)11-6-4-10(15)5-7-11/h4-7,9,13H,2-3,8H2,1H3
InChIKeyKCCBYFVCWVNHKF-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.34
Rot. Bonds3

About methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate

methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate (PubChem CID 91704350) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate
PubChem CID91704350
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namemethyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate
SMILESCOC(=O)C1=NN(c2ccc(F)cc2)C(C2CC2)C1
InChIInChI=1S/C14H15FN2O2/c1-19-14(18)12-8-13(9-2-3-9)17(16-12)11-6-4-10(15)5-7-11/h4-7,9,13H,2-3,8H2,1H3
InChIKeyKCCBYFVCWVNHKF-UHFFFAOYSA-N
XLogP2.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-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 methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate (CID 91704350) is methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate is COC(=O)C1=NN(c2ccc(F)cc2)C(C2CC2)C1.
What is the InChIKey of methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is KCCBYFVCWVNHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-19-14(18)12-8-13(9-2-3-9)17(16-12)11-6-4-10(15)5-7-11/h4-7,9,13H,2-3,8H2,1H3.
What are the key properties of methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate?
methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 91704350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).