1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine

C19H21N5 — CID 127051102

IUPAC1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4)cn3)cc2)CC1
InChIInChI=1S/C19H21N5/c1-22-10-12-23(13-11-22)18-2-4-19(5-3-18)24-15-17(14-21-24)16-6-8-20-9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeySFCDWDTYGWMEMV-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.69
Rot. Bonds3

About 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine

1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine (PubChem CID 127051102) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine
PubChem CID127051102
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4)cn3)cc2)CC1
InChIInChI=1S/C19H21N5/c1-22-10-12-23(13-11-22)18-2-4-19(5-3-18)24-15-17(14-21-24)16-6-8-20-9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeySFCDWDTYGWMEMV-UHFFFAOYSA-N
XLogP2.69
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 9861063
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CID 25333445
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CID 5727668
CID 5727668
CID 5727667
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CID 6878030
CID 6878030
CID 9814925
CID 9814925
CID 9857146
CID 9857146
CID 9858084
CID 9858084
CID 9944397
CID 9944397
CID 10192768
CID 10192768
CID 11717091
CID 11717091
CID 71710904
CID 71710904

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine (CID 127051102) is 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine is CN1CCN(c2ccc(-n3cc(-c4ccncc4)cn3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine?
The InChIKey is SFCDWDTYGWMEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-22-10-12-23(13-11-22)18-2-4-19(5-3-18)24-15-17(14-21-24)16-6-8-20-9-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine?
1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine has a molecular weight of 319.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine is sourced from PubChem (CID 127051102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).