2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol

C11H13ClN4O — CID 115056429

IUPAC2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
SMILESNc1nn(-c2cccc(Cl)c2)c(N)c1CCO
InChIInChI=1S/C11H13ClN4O/c12-7-2-1-3-8(6-7)16-11(14)9(4-5-17)10(13)15-16/h1-3,6,17H,4-5,14H2,(H2,13,15)
InChIKeyOODPUBNCECXMSF-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.22
Rot. Bonds3

About 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol

2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol (PubChem CID 115056429) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
PubChem CID115056429
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
SMILESNc1nn(-c2cccc(Cl)c2)c(N)c1CCO
InChIInChI=1S/C11H13ClN4O/c12-7-2-1-3-8(6-7)16-11(14)9(4-5-17)10(13)15-16/h1-3,6,17H,4-5,14H2,(H2,13,15)
InChIKeyOODPUBNCECXMSF-UHFFFAOYSA-N
XLogP1.22
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol 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

3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
1-(3-chlorophenyl)indazole-3,7-diamine
CID 69187735
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid
CID 115056344
2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817765
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868837
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol (CID 115056429) is 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol is Nc1nn(-c2cccc(Cl)c2)c(N)c1CCO.
What is the InChIKey of 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol?
The InChIKey is OODPUBNCECXMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-7-2-1-3-8(6-7)16-11(14)9(4-5-17)10(13)15-16/h1-3,6,17H,4-5,14H2,(H2,13,15).
What are the key properties of 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol?
2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol has a molecular weight of 252.71 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 115056429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).