1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine

C22H27N5O2 — CID 126783078

IUPAC1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3c(C)nn(C)c3Oc3cccnc3)CC2)c1
InChIInChI=1S/C22H27N5O2/c1-17-21(22(25(2)24-17)29-20-8-5-9-23-15-20)16-26-10-12-27(13-11-26)18-6-4-7-19(14-18)28-3/h4-9,14-15H,10-13,16H2,1-3H3
InChIKeyQVROKCNOXYLTKO-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.25
Rot. Bonds6

About 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine

1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 126783078) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine
PubChem CID126783078
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3c(C)nn(C)c3Oc3cccnc3)CC2)c1
InChIInChI=1S/C22H27N5O2/c1-17-21(22(25(2)24-17)29-20-8-5-9-23-15-20)16-26-10-12-27(13-11-26)18-6-4-7-19(14-18)28-3/h4-9,14-15H,10-13,16H2,1-3H3
InChIKeyQVROKCNOXYLTKO-UHFFFAOYSA-N
XLogP3.25
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine (CID 126783078) is 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(Cc3c(C)nn(C)c3Oc3cccnc3)CC2)c1.
What is the InChIKey of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is QVROKCNOXYLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-17-21(22(25(2)24-17)29-20-8-5-9-23-15-20)16-26-10-12-27(13-11-26)18-6-4-7-19(14-18)28-3/h4-9,14-15H,10-13,16H2,1-3H3.
What are the key properties of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine?
1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 393.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 126783078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).