[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methoxyphenyl)-ethyl]piperazin-1-yl}methanone
CID 24811073
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
5-(3-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575014
2-(((4-Methoxyphenyl)(methyl)amino)methyl)-5-(2,4,6-trifluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575041
5-(4-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575148
5-(3,5-Difluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575157
5-(2-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575193
(4-Chloro-2-methylpyrazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6469727
1-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 25284334

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).