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

C25H31N5O — CID 127052230

IUPAC1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4OC4CCCCC4)cn3)cc2)CC1
InChIInChI=1S/C25H31N5O/c1-28-13-15-29(16-14-28)21-7-9-22(10-8-21)30-19-20(17-27-30)24-11-12-26-18-25(24)31-23-5-3-2-4-6-23/h7-12,17-19,23H,2-6,13-16H2,1H3
InChIKeyWDDUOQDGYWMZCG-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.40
Rot. Bonds5

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

1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine (PubChem CID 127052230) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
PubChem CID127052230
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4OC4CCCCC4)cn3)cc2)CC1
InChIInChI=1S/C25H31N5O/c1-28-13-15-29(16-14-28)21-7-9-22(10-8-21)30-19-20(17-27-30)24-11-12-26-18-25(24)31-23-5-3-2-4-6-23/h7-12,17-19,23H,2-6,13-16H2,1H3
InChIKeyWDDUOQDGYWMZCG-UHFFFAOYSA-N
XLogP4.40
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.40
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

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine (CID 127052230) is 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine is CN1CCN(c2ccc(-n3cc(-c4ccncc4OC4CCCCC4)cn3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The InChIKey is WDDUOQDGYWMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-28-13-15-29(16-14-28)21-7-9-22(10-8-21)30-19-20(17-27-30)24-11-12-26-18-25(24)31-23-5-3-2-4-6-23/h7-12,17-19,23H,2-6,13-16H2,1H3.
What are the key properties of 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine has a molecular weight of 417.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-cyclohexyloxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 127052230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).