2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol

C18H31N3O — CID 154757247

IUPAC2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol
SMILESCCn1nccc1CCN1CCCC1C1CCCCC1(C)O
InChIInChI=1S/C18H31N3O/c1-3-21-15(9-12-19-21)10-14-20-13-6-8-17(20)16-7-4-5-11-18(16,2)22/h9,12,16-17,22H,3-8,10-11,13-14H2,1-2H3
InChIKeyGNXMAVVHXVJIBX-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol

2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol (PubChem CID 154757247) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol
PubChem CID154757247
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol
SMILESCCn1nccc1CCN1CCCC1C1CCCCC1(C)O
InChIInChI=1S/C18H31N3O/c1-3-21-15(9-12-19-21)10-14-20-13-6-8-17(20)16-7-4-5-11-18(16,2)22/h9,12,16-17,22H,3-8,10-11,13-14H2,1-2H3
InChIKeyGNXMAVVHXVJIBX-UHFFFAOYSA-N
XLogP2.85
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol?
The IUPAC name of 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol (CID 154757247) is 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol?
The canonical SMILES for 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol is CCn1nccc1CCN1CCCC1C1CCCCC1(C)O.
What is the InChIKey of 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol?
The InChIKey is GNXMAVVHXVJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-3-21-15(9-12-19-21)10-14-20-13-6-8-17(20)16-7-4-5-11-18(16,2)22/h9,12,16-17,22H,3-8,10-11,13-14H2,1-2H3.
What are the key properties of 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol?
2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol has a molecular weight of 305.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 154757247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).