5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile

C11H10N4O2 — CID 117332213

IUPAC5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile
SMILESCOc1c(O)cc(-c2cc(N)n[nH]2)cc1C#N
InChIInChI=1S/C11H10N4O2/c1-17-11-7(5-12)2-6(3-9(11)16)8-4-10(13)15-14-8/h2-4,16H,1H3,(H3,13,14,15)
InChIKeyLAATTXCBWJYXGX-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.24
Rot. Bonds2

About 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile

5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile (PubChem CID 117332213) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile
PubChem CID117332213
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile
SMILESCOc1c(O)cc(-c2cc(N)n[nH]2)cc1C#N
InChIInChI=1S/C11H10N4O2/c1-17-11-7(5-12)2-6(3-9(11)16)8-4-10(13)15-14-8/h2-4,16H,1H3,(H3,13,14,15)
InChIKeyLAATTXCBWJYXGX-UHFFFAOYSA-N
XLogP1.24
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile
CID 137013108
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
3-(3-amino-1H-pyrazol-5-yl)-5-tert-butyl-2-methoxyphenol
CID 117407603
5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
CID 83396217
3-hydroxy-5-(hydroxymethyl)-2-methoxybenzonitrile
CID 117277913
5-(aminooxymethyl)-3-hydroxy-2-methoxybenzonitrile
CID 117284338
5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412509
2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942315
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine
CID 117485866
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile?
The IUPAC name of 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile (CID 117332213) is 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile.
What is the SMILES notation for 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile?
The canonical SMILES for 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile is COc1c(O)cc(-c2cc(N)n[nH]2)cc1C#N.
What is the InChIKey of 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile?
The InChIKey is LAATTXCBWJYXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-17-11-7(5-12)2-6(3-9(11)16)8-4-10(13)15-14-8/h2-4,16H,1H3,(H3,13,14,15).
What are the key properties of 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile?
5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile has a molecular weight of 230.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-pyrazol-5-yl)-3-hydroxy-2-methoxybenzonitrile is sourced from PubChem (CID 117332213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).