5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile

C12H19N5O2 — CID 102795329

IUPAC5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCC(CO)C2)nn(CCO)c1N
InChIInChI=1S/C12H19N5O2/c13-6-10-11(14)17(4-5-18)15-12(10)16-3-1-2-9(7-16)8-19/h9,18-19H,1-5,7-8,14H2
InChIKeyNNRWIRTWRAIDHR-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.46
Rot. Bonds4

About 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile

5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile (PubChem CID 102795329) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile
PubChem CID102795329
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCC(CO)C2)nn(CCO)c1N
InChIInChI=1S/C12H19N5O2/c13-6-10-11(14)17(4-5-18)15-12(10)16-3-1-2-9(7-16)8-19/h9,18-19H,1-5,7-8,14H2
InChIKeyNNRWIRTWRAIDHR-UHFFFAOYSA-N
XLogP-0.46
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile 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 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile (CID 102795329) is 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile is N#Cc1c(N2CCCC(CO)C2)nn(CCO)c1N.
What is the InChIKey of 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile?
The InChIKey is NNRWIRTWRAIDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-6-10-11(14)17(4-5-18)15-12(10)16-3-1-2-9(7-16)8-19/h9,18-19H,1-5,7-8,14H2.
What are the key properties of 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile?
5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 102795329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).