1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine

C25H31N5O — CID 22347210

IUPAC1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine
SMILESCN1CCN(C2CCC(n3ccc(-c4ccc(Oc5ccccc5)nc4)n3)CC2)CC1
InChIInChI=1S/C25H31N5O/c1-28-15-17-29(18-16-28)21-8-10-22(11-9-21)30-14-13-24(27-30)20-7-12-25(26-19-20)31-23-5-3-2-4-6-23/h2-7,12-14,19,21-22H,8-11,15-18H2,1H3
InChIKeyFKQADWASVVEAEY-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.47
Rot. Bonds5

About 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine

1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine (PubChem CID 22347210) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine
PubChem CID22347210
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine
SMILESCN1CCN(C2CCC(n3ccc(-c4ccc(Oc5ccccc5)nc4)n3)CC2)CC1
InChIInChI=1S/C25H31N5O/c1-28-15-17-29(18-16-28)21-8-10-22(11-9-21)30-14-13-24(27-30)20-7-12-25(26-19-20)31-23-5-3-2-4-6-23/h2-7,12-14,19,21-22H,8-11,15-18H2,1H3
InChIKeyFKQADWASVVEAEY-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
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2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine
CID 156022514
3-Cyclobutyl-7-{[5-(1H-pyrazol-1-yl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10473695
(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
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine (CID 22347210) is 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine is CN1CCN(C2CCC(n3ccc(-c4ccc(Oc5ccccc5)nc4)n3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine?
The InChIKey is FKQADWASVVEAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-28-15-17-29(18-16-28)21-8-10-22(11-9-21)30-14-13-24(27-30)20-7-12-25(26-19-20)31-23-5-3-2-4-6-23/h2-7,12-14,19,21-22H,8-11,15-18H2,1H3.
What are the key properties of 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine?
1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine has a molecular weight of 417.56 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[3-(6-phenoxy-3-pyridinyl)pyrazol-1-yl]cyclohexyl]piperazine is sourced from PubChem (CID 22347210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).