[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol

C13H23N3O — CID 103001877

IUPAC[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
SMILESCn1cc(CCNCC2(CO)CCCC2)cn1
InChIInChI=1S/C13H23N3O/c1-16-9-12(8-15-16)4-7-14-10-13(11-17)5-2-3-6-13/h8-9,14,17H,2-7,10-11H2,1H3
InChIKeyCLSWTFIEMMNLBZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.10
Rot. Bonds6

About [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol

[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol (PubChem CID 103001877) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
PubChem CID103001877
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
SMILESCn1cc(CCNCC2(CO)CCCC2)cn1
InChIInChI=1S/C13H23N3O/c1-16-9-12(8-15-16)4-7-14-10-13(11-17)5-2-3-6-13/h8-9,14,17H,2-7,10-11H2,1H3
InChIKeyCLSWTFIEMMNLBZ-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.10
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

N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103001679
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 106813065
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71920840
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 80689093
2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
CID 107852417
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol (CID 103001877) is [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol is Cn1cc(CCNCC2(CO)CCCC2)cn1.
What is the InChIKey of [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol?
The InChIKey is CLSWTFIEMMNLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-9-12(8-15-16)4-7-14-10-13(11-17)5-2-3-6-13/h8-9,14,17H,2-7,10-11H2,1H3.
What are the key properties of [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol?
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103001877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).