cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol

C17H29N3O — CID 129352503

IUPACcis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCn1cc(CCN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cn1
InChIInChI=1S/C17H29N3O/c1-2-20-13-14(12-18-20)9-11-19-10-5-7-16(19)15-6-3-4-8-17(15)21/h12-13,15-17,21H,2-11H2,1H3/t15-,16+,17+/m0/s1
InChIKeyXYBRHNLQFBHLLU-GVDBMIGSSA-N
MW291.44 g/mol
LogP2.46
Rot. Bonds5

About cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol

cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 129352503) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID129352503
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Namecis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCn1cc(CCN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cn1
InChIInChI=1S/C17H29N3O/c1-2-20-13-14(12-18-20)9-11-19-10-5-7-16(19)15-6-3-4-8-17(15)21/h12-13,15-17,21H,2-11H2,1H3/t15-,16+,17+/m0/s1
InChIKeyXYBRHNLQFBHLLU-GVDBMIGSSA-N
XLogP2.46
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97384246
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)pyrrolidin-3-ol
CID 97384247
1-Cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 132970547
(3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
CID 67965136
[2-(4-Propan-2-ylpyrazol-1-yl)cyclopentyl]methanol
CID 67965145
[1-(4-Propan-2-ylpyrazol-1-yl)cyclohexyl]methanol
CID 70846477
4-(4-Propan-2-ylpyrazol-1-yl)cyclohexan-1-ol
CID 84025891
4-(4-Ethylpyrazol-1-yl)cyclohexan-1-ol
CID 123553372
1-[4-(1-Methylpyrazol-4-yl)cyclohexyl]ethanol
CID 134257886
3-Cyclopentyl-3-(4-methylpyrazol-1-yl)propan-1-ol
CID 144151839
(3R)-3-cyclopentyl-3-(4-methylpyrazol-1-yl)propan-1-ol
CID 144152156
4-(4-Propylpyrazol-1-yl)cyclohexan-1-ol
CID 165398780

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 129352503) is cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol is CCn1cc(CCN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cn1.
What is the InChIKey of cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is XYBRHNLQFBHLLU-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-20-13-14(12-18-20)9-11-19-10-5-7-16(19)15-6-3-4-8-17(15)21/h12-13,15-17,21H,2-11H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol?
cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129352503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).