2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol

C13H20N4O4 — CID 165095014

IUPAC2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol
SMILESO=C(O)c1ccnn1CCCO.OCCCn1cccn1
InChIInChI=1S/C7H10N2O3.C6H10N2O/c10-5-1-4-9-6(7(11)12)2-3-8-9;9-6-2-5-8-4-1-3-7-8/h2-3,10H,1,4-5H2,(H,11,12);1,3-4,9H,2,5-6H2
InChIKeyXIPQHRFPRAEEAZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.23
Rot. Bonds7

About 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol

2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol (PubChem CID 165095014) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol
PubChem CID165095014
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol
SMILESO=C(O)c1ccnn1CCCO.OCCCn1cccn1
InChIInChI=1S/C7H10N2O3.C6H10N2O/c10-5-1-4-9-6(7(11)12)2-3-8-9;9-6-2-5-8-4-1-3-7-8/h2-3,10H,1,4-5H2,(H,11,12);1,3-4,9H,2,5-6H2
InChIKeyXIPQHRFPRAEEAZ-UHFFFAOYSA-N
XLogP0.23
TPSA113.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-pyrazol-1-ylbutan-1-ol
CID 43509832
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-(3-phenylpropyl)pyrazole-3-carboxylic acid
CID 60780145
2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid
CID 19494063
2-(4,4,4-trifluorobutyl)pyrazole-3-carboxylic acid
CID 115514375
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid
CID 114606546
2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid
CID 50896725
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-(5-cyano-5-methylhexyl)pyrazole-3-carboxylic acid
CID 106713025
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid
CID 79103703

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol?
The IUPAC name of 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol (CID 165095014) is 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol.
What is the SMILES notation for 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol?
The canonical SMILES for 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol is O=C(O)c1ccnn1CCCO.OCCCn1cccn1.
What is the InChIKey of 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol?
The InChIKey is XIPQHRFPRAEEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.C6H10N2O/c10-5-1-4-9-6(7(11)12)2-3-8-9;9-6-2-5-8-4-1-3-7-8/h2-3,10H,1,4-5H2,(H,11,12);1,3-4,9H,2,5-6H2.
What are the key properties of 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol?
2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol has a molecular weight of 296.33 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol is sourced from PubChem (CID 165095014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).