1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol

C12H16N4O — CID 175948473

IUPAC1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol
SMILESCC(O)Cc1ccn(-c2ncccc2CN)n1
InChIInChI=1S/C12H16N4O/c1-9(17)7-11-4-6-16(15-11)12-10(8-13)3-2-5-14-12/h2-6,9,17H,7-8,13H2,1H3
InChIKeyULALCWJFGYCXRA-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.65
Rot. Bonds4

About 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol

1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol (PubChem CID 175948473) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol
PubChem CID175948473
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol
SMILESCC(O)Cc1ccn(-c2ncccc2CN)n1
InChIInChI=1S/C12H16N4O/c1-9(17)7-11-4-6-16(15-11)12-10(8-13)3-2-5-14-12/h2-6,9,17H,7-8,13H2,1H3
InChIKeyULALCWJFGYCXRA-UHFFFAOYSA-N
XLogP0.65
TPSA76.96 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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol (CID 175948473) is 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol is CC(O)Cc1ccn(-c2ncccc2CN)n1.
What is the InChIKey of 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol?
The InChIKey is ULALCWJFGYCXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(17)7-11-4-6-16(15-11)12-10(8-13)3-2-5-14-12/h2-6,9,17H,7-8,13H2,1H3.
What are the key properties of 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol?
1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol has a molecular weight of 232.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(aminomethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 175948473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).