1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol

C12H22N4O2 — CID 114797096

IUPAC1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
SMILESNc1cnn(CC(O)CN2CCC(CCO)C2)c1
InChIInChI=1S/C12H22N4O2/c13-11-5-14-16(7-11)9-12(18)8-15-3-1-10(6-15)2-4-17/h5,7,10,12,17-18H,1-4,6,8-9,13H2
InChIKeyJCMWVOREMREVTE-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.47
Rot. Bonds6

About 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 114797096) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID114797096
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
SMILESNc1cnn(CC(O)CN2CCC(CCO)C2)c1
InChIInChI=1S/C12H22N4O2/c13-11-5-14-16(7-11)9-12(18)8-15-3-1-10(6-15)2-4-17/h5,7,10,12,17-18H,1-4,6,8-9,13H2
InChIKeyJCMWVOREMREVTE-UHFFFAOYSA-N
XLogP-0.47
TPSA87.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol
CID 43584180
(2S)-1-(4-aminopyrazol-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
CID 51864183
1-(4-aminopyrazol-1-yl)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 62368592
1-(4-aminopyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol
CID 43369877
1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol
CID 63623491
1-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 103194660
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796728
1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 114797133
1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
CID 62968918
1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63233045
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107209661
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol (CID 114797096) is 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol is Nc1cnn(CC(O)CN2CCC(CCO)C2)c1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is JCMWVOREMREVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c13-11-5-14-16(7-11)9-12(18)8-15-3-1-10(6-15)2-4-17/h5,7,10,12,17-18H,1-4,6,8-9,13H2.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 114797096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).