1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine

C23H29N5O — CID 119058125

IUPAC1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine
SMILESCC(C)COc1cnccc1-c1cnn(-c2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C23H29N5O/c1-18(2)17-29-23-15-24-9-8-22(23)19-14-25-28(16-19)21-6-4-20(5-7-21)27-12-10-26(3)11-13-27/h4-9,14-16,18H,10-13,17H2,1-3H3
InChIKeySYZOJQFDCIIANZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.72
Rot. Bonds6

About 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine

1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine (PubChem CID 119058125) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine
PubChem CID119058125
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine
SMILESCC(C)COc1cnccc1-c1cnn(-c2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C23H29N5O/c1-18(2)17-29-23-15-24-9-8-22(23)19-14-25-28(16-19)21-6-4-20(5-7-21)27-12-10-26(3)11-13-27/h4-9,14-16,18H,10-13,17H2,1-3H3
InChIKeySYZOJQFDCIIANZ-UHFFFAOYSA-N
XLogP3.72
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.72
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
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
Jnj-42259152
CID 51353528
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-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine (CID 119058125) is 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine is CC(C)COc1cnccc1-c1cnn(-c2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine?
The InChIKey is SYZOJQFDCIIANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-18(2)17-29-23-15-24-9-8-22(23)19-14-25-28(16-19)21-6-4-20(5-7-21)27-12-10-26(3)11-13-27/h4-9,14-16,18H,10-13,17H2,1-3H3.
What are the key properties of 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine?
1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine has a molecular weight of 391.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-[3-(2-methylpropoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine is sourced from PubChem (CID 119058125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).