4-(4-hydroxypyrazol-1-yl)benzonitrile

C10H7N3O — CID 131539242

IUPAC4-(4-hydroxypyrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2cc(O)cn2)cc1
InChIInChI=1S/C10H7N3O/c11-5-8-1-3-9(4-2-8)13-7-10(14)6-12-13/h1-4,6-7,14H
InChIKeyKFMDXEVHHXJIGC-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.45
Rot. Bonds1

About 4-(4-hydroxypyrazol-1-yl)benzonitrile

4-(4-hydroxypyrazol-1-yl)benzonitrile (PubChem CID 131539242) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-(4-hydroxypyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-hydroxypyrazol-1-yl)benzonitrile
PubChem CID131539242
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name4-(4-hydroxypyrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2cc(O)cn2)cc1
InChIInChI=1S/C10H7N3O/c11-5-8-1-3-9(4-2-8)13-7-10(14)6-12-13/h1-4,6-7,14H
InChIKeyKFMDXEVHHXJIGC-UHFFFAOYSA-N
XLogP1.45
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxyphenyl)pyrazol-4-ol
CID 117124802
[1-(4-cyanophenyl)pyrazol-4-yl]boronic acid
CID 66521545
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]benzonitrile
CID 66520914
4-[4-(azidomethyl)pyrazol-1-yl]benzonitrile
CID 86088011
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
4-hydroxybenzonitrile
CID 53435365
1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 82284363
4-[4-[3-(tert-butylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719123
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681
N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134035531
4-[4-[3-(2-methylpropylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719124
N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093668

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypyrazol-1-yl)benzonitrile?
The IUPAC name of 4-(4-hydroxypyrazol-1-yl)benzonitrile (CID 131539242) is 4-(4-hydroxypyrazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-hydroxypyrazol-1-yl)benzonitrile?
The canonical SMILES for 4-(4-hydroxypyrazol-1-yl)benzonitrile is N#Cc1ccc(-n2cc(O)cn2)cc1.
What is the InChIKey of 4-(4-hydroxypyrazol-1-yl)benzonitrile?
The InChIKey is KFMDXEVHHXJIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c11-5-8-1-3-9(4-2-8)13-7-10(14)6-12-13/h1-4,6-7,14H.
What are the key properties of 4-(4-hydroxypyrazol-1-yl)benzonitrile?
4-(4-hydroxypyrazol-1-yl)benzonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypyrazol-1-yl)benzonitrile is sourced from PubChem (CID 131539242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).