1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine

C23H29N5O — CID 126774107

IUPAC1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine
SMILESCc1ccc(C)c(N2CCN(Cc3c(C)nn(C)c3Oc3cccnc3)CC2)c1
InChIInChI=1S/C23H29N5O/c1-17-7-8-18(2)22(14-17)28-12-10-27(11-13-28)16-21-19(3)25-26(4)23(21)29-20-6-5-9-24-15-20/h5-9,14-15H,10-13,16H2,1-4H3
InChIKeyHBQHJEAWRVEEGB-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.85
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine

1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine (PubChem CID 126774107) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine
PubChem CID126774107
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine
SMILESCc1ccc(C)c(N2CCN(Cc3c(C)nn(C)c3Oc3cccnc3)CC2)c1
InChIInChI=1S/C23H29N5O/c1-17-7-8-18(2)22(14-17)28-12-10-27(11-13-28)16-21-19(3)25-26(4)23(21)29-20-6-5-9-24-15-20/h5-9,14-15H,10-13,16H2,1-4H3
InChIKeyHBQHJEAWRVEEGB-UHFFFAOYSA-N
XLogP3.85
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
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
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
(NE)-N-[[6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 137633863
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 24936042
5-Fluoro-1-(5-methoxy-3-pyridinyl)indazole
CID 76286902
(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 95289236
1-[4-[4-(3-Methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
CID 127051101

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine (CID 126774107) is 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine is Cc1ccc(C)c(N2CCN(Cc3c(C)nn(C)c3Oc3cccnc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine?
The InChIKey is HBQHJEAWRVEEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17-7-8-18(2)22(14-17)28-12-10-27(11-13-28)16-21-19(3)25-26(4)23(21)29-20-6-5-9-24-15-20/h5-9,14-15H,10-13,16H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine?
1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine has a molecular weight of 391.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 126774107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).