1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine

C26H27N5 — CID 16576279

IUPAC1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H27N5/c1-3-9-22(10-4-1)26-23(20-31(28-26)25-12-5-2-6-13-25)19-29-15-17-30(18-16-29)21-24-11-7-8-14-27-24/h1-14,20H,15-19,21H2
InChIKeyPNGHNPRUKFKOFW-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.25
Rot. Bonds6

About 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine

1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 16576279) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID16576279
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC Name1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H27N5/c1-3-9-22(10-4-1)26-23(20-31(28-26)25-12-5-2-6-13-25)19-29-15-17-30(18-16-29)21-24-11-7-8-14-27-24/h1-14,20H,15-19,21H2
InChIKeyPNGHNPRUKFKOFW-UHFFFAOYSA-N
XLogP4.25
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26353127
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30636587
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 8601337
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
[1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773894
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 112840561
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine (CID 16576279) is 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine is c1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is PNGHNPRUKFKOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-3-9-22(10-4-1)26-23(20-31(28-26)25-12-5-2-6-13-25)19-29-15-17-30(18-16-29)21-24-11-7-8-14-27-24/h1-14,20H,15-19,21H2.
What are the key properties of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 409.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 16576279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).