1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine

C26H26FN5 — CID 10113336

IUPAC1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cnn(-c3ccc(-c4ccccc4)nc3)c2-c2ccccc2F)CC1
InChIInChI=1S/C26H26FN5/c1-30-13-15-31(16-14-30)19-21-17-29-32(26(21)23-9-5-6-10-24(23)27)22-11-12-25(28-18-22)20-7-3-2-4-8-20/h2-12,17-18H,13-16,19H2,1H3
InChIKeyOYFWNQPDJWWBNL-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.49
Rot. Bonds5

About 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine

1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine (PubChem CID 10113336) has the molecular formula C26H26FN5 and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine
PubChem CID10113336
Molecular FormulaC26H26FN5
Molecular Weight427.53 g/mol
Exact Mass427.22
IUPAC Name1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cnn(-c3ccc(-c4ccccc4)nc3)c2-c2ccccc2F)CC1
InChIInChI=1S/C26H26FN5/c1-30-13-15-31(16-14-30)19-21-17-29-32(26(21)23-9-5-6-10-24(23)27)22-11-12-25(28-18-22)20-7-3-2-4-8-20/h2-12,17-18H,13-16,19H2,1H3
InChIKeyOYFWNQPDJWWBNL-UHFFFAOYSA-N
XLogP4.49
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine (CID 10113336) is 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2cnn(-c3ccc(-c4ccccc4)nc3)c2-c2ccccc2F)CC1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine?
The InChIKey is OYFWNQPDJWWBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5/c1-30-13-15-31(16-14-30)19-21-17-29-32(26(21)23-9-5-6-10-24(23)27)22-11-12-25(28-18-22)20-7-3-2-4-8-20/h2-12,17-18H,13-16,19H2,1H3.
What are the key properties of 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine?
1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine has a molecular weight of 427.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 10113336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).