2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol

C13H17N3O2 — CID 65310420

IUPAC2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H17N3O2/c17-9-12(10-18)14-8-11-2-4-13(5-3-11)16-7-1-6-15-16/h1-7,12,14,17-18H,8-10H2
InChIKeyQGRQFWOPGRCDRH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.32
Rot. Bonds6

About 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol

2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol (PubChem CID 65310420) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
PubChem CID65310420
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H17N3O2/c17-9-12(10-18)14-8-11-2-4-13(5-3-11)16-7-1-6-15-16/h1-7,12,14,17-18H,8-10H2
InChIKeyQGRQFWOPGRCDRH-UHFFFAOYSA-N
XLogP0.32
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 65047843
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 62733351
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675922
N-[(4-pyrazol-1-ylphenyl)methyl]hex-1-yn-3-amine
CID 107234255
(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675926
1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61472968
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
CID 111104760

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol (CID 65310420) is 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol is OCC(CO)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol?
The InChIKey is QGRQFWOPGRCDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-9-12(10-18)14-8-11-2-4-13(5-3-11)16-7-1-6-15-16/h1-7,12,14,17-18H,8-10H2.
What are the key properties of 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol?
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol has a molecular weight of 247.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol is sourced from PubChem (CID 65310420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).