1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine

C14H18N4O — CID 117209971

IUPAC1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
SMILESCOc1ccc(-c2[nH]ncc2N2CCNCC2)cc1
InChIInChI=1S/C14H18N4O/c1-19-12-4-2-11(3-5-12)14-13(10-16-17-14)18-8-6-15-7-9-18/h2-5,10,15H,6-9H2,1H3,(H,16,17)
InChIKeyLOGYUXUBXWIFBI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.49
Rot. Bonds3

About 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine

1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine (PubChem CID 117209971) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
PubChem CID117209971
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
SMILESCOc1ccc(-c2[nH]ncc2N2CCNCC2)cc1
InChIInChI=1S/C14H18N4O/c1-19-12-4-2-11(3-5-12)14-13(10-16-17-14)18-8-6-15-7-9-18/h2-5,10,15H,6-9H2,1H3,(H,16,17)
InChIKeyLOGYUXUBXWIFBI-UHFFFAOYSA-N
XLogP1.49
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Epz020411
CID 91668547
4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxyphenyl)piperazine
CID 2812421
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
ethyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
CID 10132265
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
3-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28750454
(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine (CID 117209971) is 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine is COc1ccc(-c2[nH]ncc2N2CCNCC2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine?
The InChIKey is LOGYUXUBXWIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-12-4-2-11(3-5-12)14-13(10-16-17-14)18-8-6-15-7-9-18/h2-5,10,15H,6-9H2,1H3,(H,16,17).
What are the key properties of 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine?
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine has a molecular weight of 258.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 117209971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).