1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

C12H22N4O — CID 114138299

IUPAC1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN1CCCC1CNCC(O)Cn1cccn1
InChIInChI=1S/C12H22N4O/c1-15-6-2-4-11(15)8-13-9-12(17)10-16-7-3-5-14-16/h3,5,7,11-13,17H,2,4,6,8-10H2,1H3
InChIKeyVDPOWKSZMJVGEM-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.07
Rot. Bonds6

About 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 114138299) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID114138299
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN1CCCC1CNCC(O)Cn1cccn1
InChIInChI=1S/C12H22N4O/c1-15-6-2-4-11(15)8-13-9-12(17)10-16-7-3-5-14-16/h3,5,7,11-13,17H,2,4,6,8-10H2,1H3
InChIKeyVDPOWKSZMJVGEM-UHFFFAOYSA-N
XLogP-0.07
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 63898393
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
1-[(1-methylpyrrolidin-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 61462108
1-[(4-ethylmorpholin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 115626302
N-cyclopropyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 54938305
1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 83021560
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 106025545

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 114138299) is 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is CN1CCCC1CNCC(O)Cn1cccn1.
What is the InChIKey of 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is VDPOWKSZMJVGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-6-2-4-11(15)8-13-9-12(17)10-16-7-3-5-14-16/h3,5,7,11-13,17H,2,4,6,8-10H2,1H3.
What are the key properties of 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 114138299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).