1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol

C12H20N2O2 — CID 103451942

IUPAC1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
SMILESCn1nccc1C(O)C1(O)CCCCCC1
InChIInChI=1S/C12H20N2O2/c1-14-10(6-9-13-14)11(15)12(16)7-4-2-3-5-8-12/h6,9,11,15-16H,2-5,7-8H2,1H3
InChIKeyZOIAPVAPWXXZTM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.54
Rot. Bonds2

About 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol

1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol (PubChem CID 103451942) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
PubChem CID103451942
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
SMILESCn1nccc1C(O)C1(O)CCCCCC1
InChIInChI=1S/C12H20N2O2/c1-14-10(6-9-13-14)11(15)12(16)7-4-2-3-5-8-12/h6,9,11,15-16H,2-5,7-8H2,1H3
InChIKeyZOIAPVAPWXXZTM-UHFFFAOYSA-N
XLogP1.54
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(2-methylpyrazol-3-yl)methanol
CID 79068264
1-[hydroxy-(2-phenylpyrazol-3-yl)methyl]cyclopentan-1-ol
CID 107330437
[1-(aminomethyl)cyclobutyl]-(2-methylpyrazol-3-yl)methanol
CID 102547567
(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858366
(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755712
1-(2-methylpyrazol-3-yl)cycloheptan-1-ol
CID 63961552
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 79074868
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 114554625
N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
CID 79080561
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 103451587
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol (CID 103451942) is 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol is Cn1nccc1C(O)C1(O)CCCCCC1.
What is the InChIKey of 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The InChIKey is ZOIAPVAPWXXZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14-10(6-9-13-14)11(15)12(16)7-4-2-3-5-8-12/h6,9,11,15-16H,2-5,7-8H2,1H3.
What are the key properties of 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol?
1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 103451942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).