1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine

C20H28N4O2 — CID 74246666

IUPAC1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
SMILESCOc1ccc(-n2cccn2)c(CN2CCN(C3CCOCC3)CC2)c1
InChIInChI=1S/C20H28N4O2/c1-25-19-3-4-20(24-8-2-7-21-24)17(15-19)16-22-9-11-23(12-10-22)18-5-13-26-14-6-18/h2-4,7-8,15,18H,5-6,9-14,16H2,1H3
InChIKeyVQZSQZCMEJXGPZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.18
Rot. Bonds5

About 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine

1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine (PubChem CID 74246666) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
PubChem CID74246666
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
SMILESCOc1ccc(-n2cccn2)c(CN2CCN(C3CCOCC3)CC2)c1
InChIInChI=1S/C20H28N4O2/c1-25-19-3-4-20(24-8-2-7-21-24)17(15-19)16-22-9-11-23(12-10-22)18-5-13-26-14-6-18/h2-4,7-8,15,18H,5-6,9-14,16H2,1H3
InChIKeyVQZSQZCMEJXGPZ-UHFFFAOYSA-N
XLogP2.18
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 135111222
4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
CID 157018475
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56709076
N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 91763516
2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine
CID 56914339

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine?
The IUPAC name of 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine (CID 74246666) is 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine.
What is the SMILES notation for 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine?
The canonical SMILES for 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine is COc1ccc(-n2cccn2)c(CN2CCN(C3CCOCC3)CC2)c1.
What is the InChIKey of 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine?
The InChIKey is VQZSQZCMEJXGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-25-19-3-4-20(24-8-2-7-21-24)17(15-19)16-22-9-11-23(12-10-22)18-5-13-26-14-6-18/h2-4,7-8,15,18H,5-6,9-14,16H2,1H3.
What are the key properties of 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine?
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine has a molecular weight of 356.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine is sourced from PubChem (CID 74246666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).