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

C21H25N5O — CID 126772183

IUPAC1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine
SMILESCc1nn(C)c(Oc2cccnc2)c1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c1-17-20(21(24(2)23-17)27-19-9-6-10-22-15-19)16-25-11-13-26(14-12-25)18-7-4-3-5-8-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyVJHGUMKILXYSCL-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.24
Rot. Bonds5

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

1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine (PubChem CID 126772183) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine
PubChem CID126772183
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine
SMILESCc1nn(C)c(Oc2cccnc2)c1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c1-17-20(21(24(2)23-17)27-19-9-6-10-22-15-19)16-25-11-13-26(14-12-25)18-7-4-3-5-8-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyVJHGUMKILXYSCL-UHFFFAOYSA-N
XLogP3.24
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4-Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine
CID 119058124
1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 17449900
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 25072002
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072633
(NE)-N-[[5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 25093832
1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125
4-[1-(2-Fluorophenyl)-1h-Pyrazol-4-Yl]-3-[(Piperidin-4-Yl)methoxy]pyridine
CID 119058126
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922
2-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24824062
4-[[4-[1-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazol-4-yl]-3-pyridinyl]oxymethyl]cyclohexan-1-amine
CID 127051103
4-[3-Fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine
CID 127052233
(NE)-N-[[6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 137633863

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine (CID 126772183) is 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine is Cc1nn(C)c(Oc2cccnc2)c1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine?
The InChIKey is VJHGUMKILXYSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-17-20(21(24(2)23-17)27-19-9-6-10-22-15-19)16-25-11-13-26(14-12-25)18-7-4-3-5-8-18/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine?
1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine has a molecular weight of 363.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 126772183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).