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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Related Compounds

2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339599
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79536007
2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339257
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426545
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340223
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339840
3-(bromomethyl)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80679649
cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129445632

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).