2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C17H29N3O — CID 110908359

IUPAC2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCCC1CC2CCC1C2
InChIInChI=1S/C17H29N3O/c1-12-17(13(2)20(19-12)7-8-21)11-18-6-5-16-10-14-3-4-15(16)9-14/h14-16,18,21H,3-11H2,1-2H3
InChIKeyKYRHEPCYMXDBEZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.41
Rot. Bonds7

About 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110908359) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110908359
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCCC1CC2CCC1C2
InChIInChI=1S/C17H29N3O/c1-12-17(13(2)20(19-12)7-8-21)11-18-6-5-16-10-14-3-4-15(16)9-14/h14-16,18,21H,3-11H2,1-2H3
InChIKeyKYRHEPCYMXDBEZ-UHFFFAOYSA-N
XLogP2.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 75417243
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CID 110905500
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79550524
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79550435
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11935022
1-(azepan-1-yl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]propan-1-one
CID 110910977
N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 79562921
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CID 110905622
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71941250
2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 111778125
2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 97060252
2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110908359) is 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCCC1CC2CCC1C2.
What is the InChIKey of 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is KYRHEPCYMXDBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12-17(13(2)20(19-12)7-8-21)11-18-6-5-16-10-14-3-4-15(16)9-14/h14-16,18,21H,3-11H2,1-2H3.
What are the key properties of 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110908359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).