1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol

C17H23N3O — CID 63933915

IUPAC1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2cnn(Cc3ccccc3)c2)CCCC1
InChIInChI=1S/C17H23N3O/c21-17(8-4-5-9-17)14-18-10-16-11-19-20(13-16)12-15-6-2-1-3-7-15/h1-3,6-7,11,13,18,21H,4-5,8-10,12,14H2
InChIKeyZUYZDZOKKIKOIG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.33
Rot. Bonds6

About 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol

1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 63933915) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID63933915
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2cnn(Cc3ccccc3)c2)CCCC1
InChIInChI=1S/C17H23N3O/c21-17(8-4-5-9-17)14-18-10-16-11-19-20(13-16)12-15-6-2-1-3-7-15/h1-3,6-7,11,13,18,21H,4-5,8-10,12,14H2
InChIKeyZUYZDZOKKIKOIG-UHFFFAOYSA-N
XLogP2.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521199
1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957130
1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 106936957
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (CID 63933915) is 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is OC1(CNCc2cnn(Cc3ccccc3)c2)CCCC1.
What is the InChIKey of 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is ZUYZDZOKKIKOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(8-4-5-9-17)14-18-10-16-11-19-20(13-16)12-15-6-2-1-3-7-15/h1-3,6-7,11,13,18,21H,4-5,8-10,12,14H2.
What are the key properties of 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 63933915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).