2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol

C20H23FN4O — CID 46984628

IUPAC2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1ccccn1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c1-2-19(14-26)25(13-18-5-3-4-10-22-18)12-16-11-23-24-20(16)15-6-8-17(21)9-7-15/h3-11,19,26H,2,12-14H2,1H3,(H,23,24)
InChIKeyIXEWSPQUXQWOOF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.38
Rot. Bonds8

About 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol

2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol (PubChem CID 46984628) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol
PubChem CID46984628
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1ccccn1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c1-2-19(14-26)25(13-18-5-3-4-10-22-18)12-16-11-23-24-20(16)15-6-8-17(21)9-7-15/h3-11,19,26H,2,12-14H2,1H3,(H,23,24)
InChIKeyIXEWSPQUXQWOOF-UHFFFAOYSA-N
XLogP3.38
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol (CID 46984628) is 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol is CCC(CO)N(Cc1ccccn1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol?
The InChIKey is IXEWSPQUXQWOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-2-19(14-26)25(13-18-5-3-4-10-22-18)12-16-11-23-24-20(16)15-6-8-17(21)9-7-15/h3-11,19,26H,2,12-14H2,1H3,(H,23,24).
What are the key properties of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol?
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol has a molecular weight of 354.43 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 46984628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).