2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol

C9H13N5O — CID 165499940

IUPAC2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol
SMILESCc1cc(-c2cc(N)n(CCO)n2)n[nH]1
InChIInChI=1S/C9H13N5O/c1-6-4-7(12-11-6)8-5-9(10)14(13-8)2-3-15/h4-5,15H,2-3,10H2,1H3,(H,11,12)
InChIKeyADHPRNWHYIURPO-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.16
Rot. Bonds3

About 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol

2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol (PubChem CID 165499940) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol
PubChem CID165499940
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol
SMILESCc1cc(-c2cc(N)n(CCO)n2)n[nH]1
InChIInChI=1S/C9H13N5O/c1-6-4-7(12-11-6)8-5-9(10)14(13-8)2-3-15/h4-5,15H,2-3,10H2,1H3,(H,11,12)
InChIKeyADHPRNWHYIURPO-UHFFFAOYSA-N
XLogP0.16
TPSA92.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol (CID 165499940) is 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol is Cc1cc(-c2cc(N)n(CCO)n2)n[nH]1.
What is the InChIKey of 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is ADHPRNWHYIURPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-4-7(12-11-6)8-5-9(10)14(13-8)2-3-15/h4-5,15H,2-3,10H2,1H3,(H,11,12).
What are the key properties of 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 207.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 165499940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).