1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine

C20H23N5O — CID 127051101

IUPAC1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
SMILESCOc1cnccc1-c1cnn(-c2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)17-3-5-18(6-4-17)25-15-16(13-22-25)19-7-8-21-14-20(19)26-2/h3-8,13-15H,9-12H2,1-2H3
InChIKeyMLLPZNSEVXTAIR-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.69
Rot. Bonds4

About 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine

1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine (PubChem CID 127051101) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
PubChem CID127051101
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
SMILESCOc1cnccc1-c1cnn(-c2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)17-3-5-18(6-4-17)25-15-16(13-22-25)19-7-8-21-14-20(19)26-2/h3-8,13-15H,9-12H2,1-2H3
InChIKeyMLLPZNSEVXTAIR-UHFFFAOYSA-N
XLogP2.69
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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
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
1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)methyl)piperazine
CID 44412482
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
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
CID 53466458

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine (CID 127051101) is 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine is COc1cnccc1-c1cnn(-c2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The InChIKey is MLLPZNSEVXTAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)17-3-5-18(6-4-17)25-15-16(13-22-25)19-7-8-21-14-20(19)26-2/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine has a molecular weight of 349.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 127051101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).