[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol

C12H16N4O — CID 84595093

IUPAC[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol
SMILESCc1c(CNc2cnccc2CO)cnn1C
InChIInChI=1S/C12H16N4O/c1-9-11(6-15-16(9)2)5-14-12-7-13-4-3-10(12)8-17/h3-4,6-7,14,17H,5,8H2,1-2H3
InChIKeyCMXMTZKLCGOKQR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.23
Rot. Bonds4

About [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol

[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol (PubChem CID 84595093) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol
PubChem CID84595093
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol
SMILESCc1c(CNc2cnccc2CO)cnn1C
InChIInChI=1S/C12H16N4O/c1-9-11(6-15-16(9)2)5-14-12-7-13-4-3-10(12)8-17/h3-4,6-7,14,17H,5,8H2,1-2H3
InChIKeyCMXMTZKLCGOKQR-UHFFFAOYSA-N
XLogP1.23
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol?
The IUPAC name of [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol (CID 84595093) is [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol is Cc1c(CNc2cnccc2CO)cnn1C.
What is the InChIKey of [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol?
The InChIKey is CMXMTZKLCGOKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-11(6-15-16(9)2)5-14-12-7-13-4-3-10(12)8-17/h3-4,6-7,14,17H,5,8H2,1-2H3.
What are the key properties of [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol?
[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol has a molecular weight of 232.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 84595093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).