3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol

C12H23N3O — CID 103001512

IUPAC3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCc1ccnn1C
InChIInChI=1S/C12H23N3O/c1-4-12(16,5-2)10-13-8-6-11-7-9-14-15(11)3/h7,9,13,16H,4-6,8,10H2,1-3H3
InChIKeyOBTCHCNTAVCROW-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.10
Rot. Bonds7

About 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol

3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 103001512) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
PubChem CID103001512
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCc1ccnn1C
InChIInChI=1S/C12H23N3O/c1-4-12(16,5-2)10-13-8-6-11-7-9-14-15(11)3/h7,9,13,16H,4-6,8,10H2,1-3H3
InChIKeyOBTCHCNTAVCROW-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
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

4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 114168416
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 106757861
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol (CID 103001512) is 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCc1ccnn1C.
What is the InChIKey of 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is OBTCHCNTAVCROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(16,5-2)10-13-8-6-11-7-9-14-15(11)3/h7,9,13,16H,4-6,8,10H2,1-3H3.
What are the key properties of 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol?
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 103001512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).