3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole

C14H21FN4O2 — CID 170601880

IUPAC3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole
SMILESCC(C)OCc1cc(CC(C)OCc2[nH]ncc2F)n[nH]1
InChIInChI=1S/C14H21FN4O2/c1-9(2)20-7-12-5-11(17-18-12)4-10(3)21-8-14-13(15)6-16-19-14/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFOSXGKVGMMWYKS-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.34
Rot. Bonds8

About 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole

3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole (PubChem CID 170601880) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole
PubChem CID170601880
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole
SMILESCC(C)OCc1cc(CC(C)OCc2[nH]ncc2F)n[nH]1
InChIInChI=1S/C14H21FN4O2/c1-9(2)20-7-12-5-11(17-18-12)4-10(3)21-8-14-13(15)6-16-19-14/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFOSXGKVGMMWYKS-UHFFFAOYSA-N
XLogP2.34
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole?
The IUPAC name of 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole (CID 170601880) is 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole.
What is the SMILES notation for 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole?
The canonical SMILES for 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole is CC(C)OCc1cc(CC(C)OCc2[nH]ncc2F)n[nH]1.
What is the InChIKey of 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole?
The InChIKey is FOSXGKVGMMWYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-9(2)20-7-12-5-11(17-18-12)4-10(3)21-8-14-13(15)6-16-19-14/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole?
3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole has a molecular weight of 296.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole is sourced from PubChem (CID 170601880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).