1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol

C15H26N2O3 — CID 103452557

IUPAC1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
SMILESCCCn1ncc(OC)c1C(O)C1(O)CCC(C)CC1
InChIInChI=1S/C15H26N2O3/c1-4-9-17-13(12(20-3)10-16-17)14(18)15(19)7-5-11(2)6-8-15/h10-11,14,18-19H,4-9H2,1-3H3
InChIKeyNNKHXCRMLNZLCE-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.28
Rot. Bonds5

About 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol

1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 103452557) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
PubChem CID103452557
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
SMILESCCCn1ncc(OC)c1C(O)C1(O)CCC(C)CC1
InChIInChI=1S/C15H26N2O3/c1-4-9-17-13(12(20-3)10-16-17)14(18)15(19)7-5-11(2)6-8-15/h10-11,14,18-19H,4-9H2,1-3H3
InChIKeyNNKHXCRMLNZLCE-UHFFFAOYSA-N
XLogP2.28
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645878
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645814
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol
CID 114637952
3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
1-(4,4-dimethylcyclohexyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114655317
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114645869
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105187165
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
CID 105130487

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol (CID 103452557) is 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol is CCCn1ncc(OC)c1C(O)C1(O)CCC(C)CC1.
What is the InChIKey of 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is NNKHXCRMLNZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-9-17-13(12(20-3)10-16-17)14(18)15(19)7-5-11(2)6-8-15/h10-11,14,18-19H,4-9H2,1-3H3.
What are the key properties of 1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol?
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 2.28, 5 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-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).