1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine

C19H21N5 — CID 22037216

IUPAC1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine
SMILESCN1CCN(c2nn(-c3ccccc3)cc2-c2ccncc2)CC1
InChIInChI=1S/C19H21N5/c1-22-11-13-23(14-12-22)19-18(16-7-9-20-10-8-16)15-24(21-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyAECVDRSJWYWBGE-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.69
Rot. Bonds3

About 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine

1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine (PubChem CID 22037216) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine
PubChem CID22037216
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine
SMILESCN1CCN(c2nn(-c3ccccc3)cc2-c2ccncc2)CC1
InChIInChI=1S/C19H21N5/c1-22-11-13-23(14-12-22)19-18(16-7-9-20-10-8-16)15-24(21-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyAECVDRSJWYWBGE-UHFFFAOYSA-N
XLogP2.69
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine (CID 22037216) is 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine is CN1CCN(c2nn(-c3ccccc3)cc2-c2ccncc2)CC1.
What is the InChIKey of 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine?
The InChIKey is AECVDRSJWYWBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-22-11-13-23(14-12-22)19-18(16-7-9-20-10-8-16)15-24(21-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine?
1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine has a molecular weight of 319.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenyl-4-pyridin-4-ylpyrazol-3-yl)piperazine is sourced from PubChem (CID 22037216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).