1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol

C11H21N5O — CID 83021560

IUPAC1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN1CCN(NCC(O)Cn2cccn2)CC1
InChIInChI=1S/C11H21N5O/c1-14-5-7-15(8-6-14)13-9-11(17)10-16-4-2-3-12-16/h2-4,11,13,17H,5-10H2,1H3
InChIKeyXIRVUYUUVJDOAX-UHFFFAOYSA-N
MW239.32 g/mol
LogP-1.00
Rot. Bonds5

About 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol

1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 83021560) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID83021560
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN1CCN(NCC(O)Cn2cccn2)CC1
InChIInChI=1S/C11H21N5O/c1-14-5-7-15(8-6-14)13-9-11(17)10-16-4-2-3-12-16/h2-4,11,13,17H,5-10H2,1H3
InChIKeyXIRVUYUUVJDOAX-UHFFFAOYSA-N
XLogP-1.00
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[(1-methylpyrrolidin-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 61462108
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 63898393
1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol
CID 118924469
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 114138299
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410027
N-cyclopropyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 54938305
1-[(1,5-dimethylpyrazol-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114253550
1-(2-methoxyethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 82722523

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 83021560) is 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol is CN1CCN(NCC(O)Cn2cccn2)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is XIRVUYUUVJDOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-14-5-7-15(8-6-14)13-9-11(17)10-16-4-2-3-12-16/h2-4,11,13,17H,5-10H2,1H3.
What are the key properties of 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 239.32 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 83021560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).