1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine

C26H28N4 — CID 90507603

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C26H28N4/c1-20-26(21(2)30(27-20)24-12-4-3-5-13-24)29-17-15-28(16-18-29)19-23-11-8-10-22-9-6-7-14-25(22)23/h3-14H,15-19H2,1-2H3
InChIKeyYOLVXVZBIMTJFL-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.96
Rot. Bonds4

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine (PubChem CID 90507603) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine
PubChem CID90507603
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C26H28N4/c1-20-26(21(2)30(27-20)24-12-4-3-5-13-24)29-17-15-28(16-18-29)19-23-11-8-10-22-9-6-7-14-25(22)23/h3-14H,15-19H2,1-2H3
InChIKeyYOLVXVZBIMTJFL-UHFFFAOYSA-N
XLogP4.96
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90507602
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90507607
1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507605
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-3-ylmethyl)piperazine
CID 90507604
4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 90507613
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one
CID 90506606
1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
CID 146025672
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90508069
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 90507927
ethyl 4-[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 90507505

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine (CID 90507603) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine is Cc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is YOLVXVZBIMTJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-20-26(21(2)30(27-20)24-12-4-3-5-13-24)29-17-15-28(16-18-29)19-23-11-8-10-22-9-6-7-14-25(22)23/h3-14H,15-19H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 396.54 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 90507603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).