1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol

C11H16N2O — CID 116799471

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CC3CCC2C3)c1
InChIInChI=1S/C11H16N2O/c14-11-5-12-13(7-11)6-10-4-8-1-2-9(10)3-8/h5,7-10,14H,1-4,6H2
InChIKeyRATWUMQDCNBVOU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol

1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol (PubChem CID 116799471) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol
PubChem CID116799471
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CC3CCC2C3)c1
InChIInChI=1S/C11H16N2O/c14-11-5-12-13(7-11)6-10-4-8-1-2-9(10)3-8/h5,7-10,14H,1-4,6H2
InChIKeyRATWUMQDCNBVOU-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-yl]methanol
CID 79549795
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazole-4-carboxylic acid
CID 79552080
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)pyrazole
CID 79550055
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
CID 79552476
4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 82391848
1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
CID 117124738
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 114965405
5-[1-(2-bicyclo[2.2.1]heptanylmethyl)triazol-4-yl]pentanoic acid
CID 104538834
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-ol
CID 117124769
1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol
CID 130487700
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 115808203
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
CID 116618396

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol (CID 116799471) is 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol is Oc1cnn(CC2CC3CCC2C3)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol?
The InChIKey is RATWUMQDCNBVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-5-12-13(7-11)6-10-4-8-1-2-9(10)3-8/h5,7-10,14H,1-4,6H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol?
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol has a molecular weight of 192.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol is sourced from PubChem (CID 116799471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).