1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol

C12H20N2O3 — CID 103451587

IUPAC1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
SMILESCOc1cnn(C)c1C(O)C1(O)CCCCC1
InChIInChI=1S/C12H20N2O3/c1-14-10(9(17-2)8-13-14)11(15)12(16)6-4-3-5-7-12/h8,11,15-16H,3-7H2,1-2H3
InChIKeyWRVPFJLSVPSIHP-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.16
Rot. Bonds3

About 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol

1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol (PubChem CID 103451587) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
PubChem CID103451587
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
SMILESCOc1cnn(C)c1C(O)C1(O)CCCCC1
InChIInChI=1S/C12H20N2O3/c1-14-10(9(17-2)8-13-14)11(15)12(16)6-4-3-5-7-12/h8,11,15-16H,3-7H2,1-2H3
InChIKeyWRVPFJLSVPSIHP-UHFFFAOYSA-N
XLogP1.16
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(1-methylcyclopentyl)methanol
CID 115836869
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
[1-(diethylamino)cyclopentyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644530
(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclopropyl)methanol
CID 114643567
(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662048
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645881
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
1-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-hydroxymethyl]cyclohexan-1-ol
CID 103451810
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methyloxan-2-yl)methanol
CID 114645058
N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661820

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol (CID 103451587) is 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol is COc1cnn(C)c1C(O)C1(O)CCCCC1.
What is the InChIKey of 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol?
The InChIKey is WRVPFJLSVPSIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14-10(9(17-2)8-13-14)11(15)12(16)6-4-3-5-7-12/h8,11,15-16H,3-7H2,1-2H3.
What are the key properties of 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol?
1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol has a molecular weight of 240.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 103451587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).