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

C12H22N4O — CID 63316143

IUPAC3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1ccn(CCN2CCCC2CCCO)n1
InChIInChI=1S/C12H22N4O/c13-12-5-7-16(14-12)9-8-15-6-1-3-11(15)4-2-10-17/h5,7,11,17H,1-4,6,8-10H2,(H2,13,14)
InChIKeyIBWKBFKKVYTUBS-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.70
Rot. Bonds6

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

3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 63316143) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID63316143
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1ccn(CCN2CCCC2CCCO)n1
InChIInChI=1S/C12H22N4O/c13-12-5-7-16(14-12)9-8-15-6-1-3-11(15)4-2-10-17/h5,7,11,17H,1-4,6,8-10H2,(H2,13,14)
InChIKeyIBWKBFKKVYTUBS-UHFFFAOYSA-N
XLogP0.70
TPSA67.31 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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-ethylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318334
1-[2-(2-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318333
3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 111116526
1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine
CID 79304239
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide
CID 63571534
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 97045106
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 63316143) is 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol is Nc1ccn(CCN2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is IBWKBFKKVYTUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-12-5-7-16(14-12)9-8-15-6-1-3-11(15)4-2-10-17/h5,7,11,17H,1-4,6,8-10H2,(H2,13,14).
What are the key properties of 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 63316143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).