2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C21H31N3O — CID 110007090

IUPAC2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C21H31N3O/c1-17-20(18(2)24(23-17)12-13-25)15-22-16-21(10-6-7-11-21)14-19-8-4-3-5-9-19/h3-5,8-9,22,25H,6-7,10-16H2,1-2H3
InChIKeyOIHMXKSRJQFIOT-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.38
Rot. Bonds8

About 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110007090) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110007090
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C21H31N3O/c1-17-20(18(2)24(23-17)12-13-25)15-22-16-21(10-6-7-11-21)14-19-8-4-3-5-9-19/h3-5,8-9,22,25H,6-7,10-16H2,1-2H3
InChIKeyOIHMXKSRJQFIOT-UHFFFAOYSA-N
XLogP3.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 103741167
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
CID 110905500
2-[1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexyl]ethanol
CID 109482206
2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905557
2-[4-[[[1-(4-chlorophenyl)cyclobutyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 49464223
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684
2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 110905525
3-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]-1H-benzimidazol-2-one
CID 111825017
2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 110905622
N-[[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730449
2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110007090) is 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCC1(Cc2ccccc2)CCCC1.
What is the InChIKey of 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is OIHMXKSRJQFIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-17-20(18(2)24(23-17)12-13-25)15-22-16-21(10-6-7-11-21)14-19-8-4-3-5-9-19/h3-5,8-9,22,25H,6-7,10-16H2,1-2H3.
What are the key properties of 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 341.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110007090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).