(1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol

C16H28N2O2 — CID 115837173

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
SMILESCCn1ncc(OC)c1C(O)C1(CC(C)C)CCCC1
InChIInChI=1S/C16H28N2O2/c1-5-18-14(13(20-4)11-17-18)15(19)16(10-12(2)3)8-6-7-9-16/h11-12,15,19H,5-10H2,1-4H3
InChIKeyHFFHTJPTZMDKHJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.55
Rot. Bonds6

About (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol

(1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol (PubChem CID 115837173) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
PubChem CID115837173
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
SMILESCCn1ncc(OC)c1C(O)C1(CC(C)C)CCCC1
InChIInChI=1S/C16H28N2O2/c1-5-18-14(13(20-4)11-17-18)15(19)16(10-12(2)3)8-6-7-9-16/h11-12,15,19H,5-10H2,1-4H3
InChIKeyHFFHTJPTZMDKHJ-UHFFFAOYSA-N
XLogP3.55
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyltriazol-4-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 114213614
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048052
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114645895
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645814
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
CID 114636558
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130141
7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191
[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831384
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 105040484
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105047944

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol (CID 115837173) is (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol is CCn1ncc(OC)c1C(O)C1(CC(C)C)CCCC1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The InChIKey is HFFHTJPTZMDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-18-14(13(20-4)11-17-18)15(19)16(10-12(2)3)8-6-7-9-16/h11-12,15,19H,5-10H2,1-4H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol?
(1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol has a molecular weight of 280.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol is sourced from PubChem (CID 115837173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).