2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol

C10H21N5O — CID 69019245

IUPAC2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol
SMILESNCCc1n[nH]c(CNCCO)c1CCN
InChIInChI=1S/C10H21N5O/c11-3-1-8-9(2-4-12)14-15-10(8)7-13-5-6-16/h13,16H,1-7,11-12H2,(H,14,15)
InChIKeyFKXSQUMVYOHMEZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.51
Rot. Bonds8

About 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol

2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol (PubChem CID 69019245) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol
PubChem CID69019245
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol
SMILESNCCc1n[nH]c(CNCCO)c1CCN
InChIInChI=1S/C10H21N5O/c11-3-1-8-9(2-4-12)14-15-10(8)7-13-5-6-16/h13,16H,1-7,11-12H2,(H,14,15)
InChIKeyFKXSQUMVYOHMEZ-UHFFFAOYSA-N
XLogP-1.51
TPSA112.98 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol?
The IUPAC name of 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol (CID 69019245) is 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol?
The canonical SMILES for 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol is NCCc1n[nH]c(CNCCO)c1CCN.
What is the InChIKey of 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol?
The InChIKey is FKXSQUMVYOHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c11-3-1-8-9(2-4-12)14-15-10(8)7-13-5-6-16/h13,16H,1-7,11-12H2,(H,14,15).
What are the key properties of 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol?
2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol has a molecular weight of 227.31 g/mol, XLogP of -1.51, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,4-bis(2-aminoethyl)-1H-pyrazol-5-yl]methylamino]ethanol is sourced from PubChem (CID 69019245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).