4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole

C10H15FN2O — CID 170411878

IUPAC4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole
SMILESCC(C)OCC1(c2[nH]ncc2F)CC1
InChIInChI=1S/C10H15FN2O/c1-7(2)14-6-10(3-4-10)9-8(11)5-12-13-9/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyVRFHLIBVZDTXRB-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.01
Rot. Bonds4

About 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole

4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole (PubChem CID 170411878) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole
PubChem CID170411878
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole
SMILESCC(C)OCC1(c2[nH]ncc2F)CC1
InChIInChI=1S/C10H15FN2O/c1-7(2)14-6-10(3-4-10)9-8(11)5-12-13-9/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyVRFHLIBVZDTXRB-UHFFFAOYSA-N
XLogP2.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole 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 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole?
The IUPAC name of 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole (CID 170411878) is 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole.
What is the SMILES notation for 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole?
The canonical SMILES for 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole is CC(C)OCC1(c2[nH]ncc2F)CC1.
What is the InChIKey of 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole?
The InChIKey is VRFHLIBVZDTXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7(2)14-6-10(3-4-10)9-8(11)5-12-13-9/h5,7H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole?
4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole has a molecular weight of 198.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole is sourced from PubChem (CID 170411878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).