1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol

C12H21N3O2 — CID 55082435

IUPAC1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESOCC1(NCC(O)Cn2cccn2)CCCC1
InChIInChI=1S/C12H21N3O2/c16-10-12(4-1-2-5-12)13-8-11(17)9-15-7-3-6-14-15/h3,6-7,11,13,16-17H,1-2,4-5,8-10H2
InChIKeyLVZJMYPSNMZPJZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.14
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol

1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 55082435) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID55082435
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESOCC1(NCC(O)Cn2cccn2)CCCC1
InChIInChI=1S/C12H21N3O2/c16-10-12(4-1-2-5-12)13-8-11(17)9-15-7-3-6-14-15/h3,6-7,11,13,16-17H,1-2,4-5,8-10H2
InChIKeyLVZJMYPSNMZPJZ-UHFFFAOYSA-N
XLogP0.14
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 55082435) is 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol is OCC1(NCC(O)Cn2cccn2)CCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is LVZJMYPSNMZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-10-12(4-1-2-5-12)13-8-11(17)9-15-7-3-6-14-15/h3,6-7,11,13,16-17H,1-2,4-5,8-10H2.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol?
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 55082435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).