2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C17H29N3O — CID 114339641

IUPAC2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCc1cc(CN2CCCC2C2CCCCC2O)n(C)n1
InChIInChI=1S/C17H29N3O/c1-3-13-11-14(19(2)18-13)12-20-10-6-8-16(20)15-7-4-5-9-17(15)21/h11,15-17,21H,3-10,12H2,1-2H3
InChIKeyMUXLWNGADIGSEC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.50
Rot. Bonds4

About 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339641) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339641
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCc1cc(CN2CCCC2C2CCCCC2O)n(C)n1
InChIInChI=1S/C17H29N3O/c1-3-13-11-14(19(2)18-13)12-20-10-6-8-16(20)15-7-4-5-9-17(15)21/h11,15-17,21H,3-10,12H2,1-2H3
InChIKeyMUXLWNGADIGSEC-UHFFFAOYSA-N
XLogP2.50
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339641) is 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is CCc1cc(CN2CCCC2C2CCCCC2O)n(C)n1.
What is the InChIKey of 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is MUXLWNGADIGSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-13-11-14(19(2)18-13)12-20-10-6-8-16(20)15-7-4-5-9-17(15)21/h11,15-17,21H,3-10,12H2,1-2H3.
What are the key properties of 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).