[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone

C18H23FN4O2 — CID 35325968

IUPAC[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccn(COc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H23FN4O2/c1-2-8-21-10-12-22(13-11-21)18(24)17-7-9-23(20-17)14-25-16-5-3-15(19)4-6-16/h3-7,9H,2,8,10-14H2,1H3
InChIKeyPWNNWVFYKJUFMG-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.23
Rot. Bonds6

About [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone

[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 35325968) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID35325968
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccn(COc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C18H23FN4O2/c1-2-8-21-10-12-22(13-11-21)18(24)17-7-9-23(20-17)14-25-16-5-3-15(19)4-6-16/h3-7,9H,2,8,10-14H2,1H3
InChIKeyPWNNWVFYKJUFMG-UHFFFAOYSA-N
XLogP2.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone (CID 35325968) is [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccn(COc3ccc(F)cc3)n2)CC1.
What is the InChIKey of [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is PWNNWVFYKJUFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-2-8-21-10-12-22(13-11-21)18(24)17-7-9-23(20-17)14-25-16-5-3-15(19)4-6-16/h3-7,9H,2,8,10-14H2,1H3.
What are the key properties of [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone?
[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 346.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 35325968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).