2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol

C20H24N4O — CID 46989417

IUPAC2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1cccc(-n2cccn2)c1)Cc1ccccn1
InChIInChI=1S/C20H24N4O/c1-2-19(16-25)23(15-18-8-3-4-10-21-18)14-17-7-5-9-20(13-17)24-12-6-11-22-24/h3-13,19,25H,2,14-16H2,1H3
InChIKeyQHQPJXABZVNVHU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.04
Rot. Bonds8

About 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol

2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol (PubChem CID 46989417) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol
PubChem CID46989417
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1cccc(-n2cccn2)c1)Cc1ccccn1
InChIInChI=1S/C20H24N4O/c1-2-19(16-25)23(15-18-8-3-4-10-21-18)14-17-7-5-9-20(13-17)24-12-6-11-22-24/h3-13,19,25H,2,14-16H2,1H3
InChIKeyQHQPJXABZVNVHU-UHFFFAOYSA-N
XLogP3.04
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol (CID 46989417) is 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol is CCC(CO)N(Cc1cccc(-n2cccn2)c1)Cc1ccccn1.
What is the InChIKey of 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol?
The InChIKey is QHQPJXABZVNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-19(16-25)23(15-18-8-3-4-10-21-18)14-17-7-5-9-20(13-17)24-12-6-11-22-24/h3-13,19,25H,2,14-16H2,1H3.
What are the key properties of 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol?
2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol has a molecular weight of 336.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrazol-1-ylphenyl)methyl-(pyridin-2-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 46989417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).