1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

C13H25N5O — CID 63898393

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN1CCN(C)C(CNCC(O)Cn2cccn2)C1
InChIInChI=1S/C13H25N5O/c1-16-6-7-17(2)12(10-16)8-14-9-13(19)11-18-5-3-4-15-18/h3-5,12-14,19H,6-11H2,1-2H3
InChIKeyCYRBJBHMALRLDE-UHFFFAOYSA-N
MW267.38 g/mol
LogP-0.92
Rot. Bonds6

About 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 63898393) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID63898393
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN1CCN(C)C(CNCC(O)Cn2cccn2)C1
InChIInChI=1S/C13H25N5O/c1-16-6-7-17(2)12(10-16)8-14-9-13(19)11-18-5-3-4-15-18/h3-5,12-14,19H,6-11H2,1-2H3
InChIKeyCYRBJBHMALRLDE-UHFFFAOYSA-N
XLogP-0.92
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 114138299
3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol
CID 77011342
1-[(1-methylpyrrolidin-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 61462108
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol
CID 63930922
1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 83021560
1-[(4-ethylmorpholin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 115626302
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299
N-cyclopropyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 54938305
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 63898393) is 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is CN1CCN(C)C(CNCC(O)Cn2cccn2)C1.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is CYRBJBHMALRLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-16-6-7-17(2)12(10-16)8-14-9-13(19)11-18-5-3-4-15-18/h3-5,12-14,19H,6-11H2,1-2H3.
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 267.38 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 63898393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).