(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol

C13H22N2O — CID 107192287

IUPAC(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1CCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-4-15-11(7-9-14-15)12(16)10-6-5-8-13(10,2)3/h7,9-10,12,16H,4-6,8H2,1-3H3
InChIKeyQSRMHQXSWJJIGN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds3

About (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol

(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol (PubChem CID 107192287) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
PubChem CID107192287
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1CCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-4-15-11(7-9-14-15)12(16)10-6-5-8-13(10,2)3/h7,9-10,12,16H,4-6,8H2,1-3H3
InChIKeyQSRMHQXSWJJIGN-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
N-[(2,2-dimethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 107188792
azepan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 114556898
(2,2-dimethylcyclopropyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107004449
(2-ethylpyrazol-3-yl)-piperidin-3-ylmethanol
CID 80559133
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799
N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107188819
(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methanol
CID 107192940
(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755731
(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol
CID 107181622

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol (CID 107192287) is (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)C1CCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is QSRMHQXSWJJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15-11(7-9-14-15)12(16)10-6-5-8-13(10,2)3/h7,9-10,12,16H,4-6,8H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol?
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 222.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 107192287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).