methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate

C14H18F2N2O3 — CID 172823992

IUPACmethyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate
SMILESCOC(=O)c1c(O)c(C2CC2)nn1CC1CCC(F)(F)C1
InChIInChI=1S/C14H18F2N2O3/c1-21-13(20)11-12(19)10(9-2-3-9)17-18(11)7-8-4-5-14(15,16)6-8/h8-9,19H,2-7H2,1H3
InChIKeyUPMFPLKIPQZCLV-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.69
Rot. Bonds4

About methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate

methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate (PubChem CID 172823992) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate
PubChem CID172823992
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Namemethyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate
SMILESCOC(=O)c1c(O)c(C2CC2)nn1CC1CCC(F)(F)C1
InChIInChI=1S/C14H18F2N2O3/c1-21-13(20)11-12(19)10(9-2-3-9)17-18(11)7-8-4-5-14(15,16)6-8/h8-9,19H,2-7H2,1H3
InChIKeyUPMFPLKIPQZCLV-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-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-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate (CID 172823992) is methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate is COC(=O)c1c(O)c(C2CC2)nn1CC1CCC(F)(F)C1.
What is the InChIKey of methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate?
The InChIKey is UPMFPLKIPQZCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-21-13(20)11-12(19)10(9-2-3-9)17-18(11)7-8-4-5-14(15,16)6-8/h8-9,19H,2-7H2,1H3.
What are the key properties of methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate?
methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]-4-hydroxypyrazole-5-carboxylate is sourced from PubChem (CID 172823992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).