1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine

C21H25N5 — CID 90507607

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H25N5/c1-17-21(18(2)26(23-17)20-9-4-3-5-10-20)25-14-12-24(13-15-25)16-19-8-6-7-11-22-19/h3-11H,12-16H2,1-2H3
InChIKeyZHGFFJZKNHQROV-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.21
Rot. Bonds4

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 90507607) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
PubChem CID90507607
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H25N5/c1-17-21(18(2)26(23-17)20-9-4-3-5-10-20)25-14-12-24(13-15-25)16-19-8-6-7-11-22-19/h3-11H,12-16H2,1-2H3
InChIKeyZHGFFJZKNHQROV-UHFFFAOYSA-N
XLogP3.21
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-3-ylmethyl)piperazine
CID 90507604
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 90507613
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90507602
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine
CID 90507603
1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507605
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90508059
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90508069
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 90507927
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine (CID 90507607) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine is Cc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is ZHGFFJZKNHQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-17-21(18(2)26(23-17)20-9-4-3-5-10-20)25-14-12-24(13-15-25)16-19-8-6-7-11-22-19/h3-11H,12-16H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 347.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 90507607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).