[1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol

C14H25N3O — CID 79581209

IUPAC[1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol
SMILESCc1nn(CCC2CCCC2(N)CO)c(C)c1C
InChIInChI=1S/C14H25N3O/c1-10-11(2)16-17(12(10)3)8-6-13-5-4-7-14(13,15)9-18/h13,18H,4-9,15H2,1-3H3
InChIKeyDYCJKNGYTYNNPW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.69
Rot. Bonds4

About [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol (PubChem CID 79581209) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol
PubChem CID79581209
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol
SMILESCc1nn(CCC2CCCC2(N)CO)c(C)c1C
InChIInChI=1S/C14H25N3O/c1-10-11(2)16-17(12(10)3)8-6-13-5-4-7-14(13,15)9-18/h13,18H,4-9,15H2,1-3H3
InChIKeyDYCJKNGYTYNNPW-UHFFFAOYSA-N
XLogP1.69
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol
CID 23006055
[4-Methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 55086977
2-[3,5-Dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 55106070
4-Methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554
2-[1-(1-Ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-4-methylpentan-1-ol
CID 61891431
4-Methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 61891621
5-[3,5-Dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol
CID 62228465
5-(3,4,5-Trimethylpyrazol-1-yl)pentan-1-ol
CID 62229175
5-(4-Ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
5-[4-(Aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol
CID 62229414
5-[3,5-Dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol
CID 62229415
5-[4-(Ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol
CID 62229416

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol (CID 79581209) is [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol is Cc1nn(CCC2CCCC2(N)CO)c(C)c1C.
What is the InChIKey of [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol?
The InChIKey is DYCJKNGYTYNNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-11(2)16-17(12(10)3)8-6-13-5-4-7-14(13,15)9-18/h13,18H,4-9,15H2,1-3H3.
What are the key properties of [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).