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

C12H19N5O — CID 64831333

IUPAC2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCCn2ccnc2)cn1
InChIInChI=1S/C12H19N5O/c18-7-6-17-10-12(9-15-17)8-13-2-1-4-16-5-3-14-11-16/h3,5,9-11,13,18H,1-2,4,6-8H2
InChIKeyTXVAHQVMYDMJKR-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.25
Rot. Bonds8

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

2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64831333) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64831333
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCCn2ccnc2)cn1
InChIInChI=1S/C12H19N5O/c18-7-6-17-10-12(9-15-17)8-13-2-1-4-16-5-3-14-11-16/h3,5,9-11,13,18H,1-2,4,6-8H2
InChIKeyTXVAHQVMYDMJKR-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-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
3-imidazol-1-yl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80689787
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;oxalic acid
CID 17052847
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79578880
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol (CID 64831333) is 2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCCCn2ccnc2)cn1.
What is the InChIKey of 2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is TXVAHQVMYDMJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c18-7-6-17-10-12(9-15-17)8-13-2-1-4-16-5-3-14-11-16/h3,5,9-11,13,18H,1-2,4,6-8H2.
What are the key properties of 2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(3-imidazol-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-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64831333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).