2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol

C12H19N5O — CID 113412472

IUPAC2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCCn2cccn2)cn1
InChIInChI=1S/C12H19N5O/c18-8-7-17-11-12(10-15-17)9-13-3-1-5-16-6-2-4-14-16/h2,4,6,10-11,13,18H,1,3,5,7-9H2
InChIKeyNHUUPNGFTXEXAR-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.25
Rot. Bonds8

About 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 113412472) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID113412472
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCCn2cccn2)cn1
InChIInChI=1S/C12H19N5O/c18-8-7-17-11-12(10-15-17)9-13-3-1-5-16-6-2-4-14-16/h2,4,6,10-11,13,18H,1,3,5,7-9H2
InChIKeyNHUUPNGFTXEXAR-UHFFFAOYSA-N
XLogP0.25
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 64831333
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 64828582
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 110905622
N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide
CID 79393845
2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
CID 64830147
N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115682264
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol (CID 113412472) is 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCCCn2cccn2)cn1.
What is the InChIKey of 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is NHUUPNGFTXEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c18-8-7-17-11-12(10-15-17)9-13-3-1-5-16-6-2-4-14-16/h2,4,6,10-11,13,18H,1,3,5,7-9H2.
What are the key properties of 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 249.32 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 113412472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).