1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine

C26H34N4O2 — CID 142706669

IUPAC1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOCc1cc(CCCCN2CCN(c3ccccc3OC)CC2)nn1-c1ccccc1
InChIInChI=1S/C26H34N4O2/c1-31-21-24-20-22(27-30(24)23-11-4-3-5-12-23)10-8-9-15-28-16-18-29(19-17-28)25-13-6-7-14-26(25)32-2/h3-7,11-14,20H,8-10,15-19,21H2,1-2H3
InChIKeyMZQHSGNZBBXXIH-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.17
Rot. Bonds10

About 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine

1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 142706669) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine
PubChem CID142706669
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOCc1cc(CCCCN2CCN(c3ccccc3OC)CC2)nn1-c1ccccc1
InChIInChI=1S/C26H34N4O2/c1-31-21-24-20-22(27-30(24)23-11-4-3-5-12-23)10-8-9-15-28-16-18-29(19-17-28)25-13-6-7-14-26(25)32-2/h3-7,11-14,20H,8-10,15-19,21H2,1-2H3
InChIKeyMZQHSGNZBBXXIH-UHFFFAOYSA-N
XLogP4.17
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-4-[4-(1-naphthalen-2-yltriazol-4-yl)butyl]piperazine
CID 122180568
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole
CID 22727335
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
CID 68559968
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole
CID 160888047
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
CID 21481034
1-(2-methoxyphenyl)-4-[4-[1-(4-thiophen-3-ylphenyl)triazol-4-yl]butyl]piperazine
CID 118719798
1-(3,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine;hydrochloride
CID 71766546
1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 68559610
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine (CID 142706669) is 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine is COCc1cc(CCCCN2CCN(c3ccccc3OC)CC2)nn1-c1ccccc1.
What is the InChIKey of 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is MZQHSGNZBBXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-31-21-24-20-22(27-30(24)23-11-4-3-5-12-23)10-8-9-15-28-16-18-29(19-17-28)25-13-6-7-14-26(25)32-2/h3-7,11-14,20H,8-10,15-19,21H2,1-2H3.
What are the key properties of 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine?
1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 434.58 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 142706669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).