1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol

C12H16N4O — CID 60901076

IUPAC1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccccn1)Cn1cccn1
InChIInChI=1S/C12H16N4O/c17-12(10-16-7-3-6-15-16)9-13-8-11-4-1-2-5-14-11/h1-7,12-13,17H,8-10H2
InChIKeyMUZHMNNVFWPSBJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.43
Rot. Bonds6

About 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol

1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol (PubChem CID 60901076) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
PubChem CID60901076
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccccn1)Cn1cccn1
InChIInChI=1S/C12H16N4O/c17-12(10-16-7-3-6-15-16)9-13-8-11-4-1-2-5-14-11/h1-7,12-13,17H,8-10H2
InChIKeyMUZHMNNVFWPSBJ-UHFFFAOYSA-N
XLogP0.43
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683
1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 62847006
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797314
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106372834
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 54903619
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
CID 115644639
1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106221458
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol (CID 60901076) is 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol is OC(CNCc1ccccn1)Cn1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol?
The InChIKey is MUZHMNNVFWPSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(10-16-7-3-6-15-16)9-13-8-11-4-1-2-5-14-11/h1-7,12-13,17H,8-10H2.
What are the key properties of 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol?
1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol has a molecular weight of 232.29 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60901076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).