3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol

C12H23N3O2 — CID 106175484

IUPAC3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)Cn1cccn1
InChIInChI=1S/C12H23N3O2/c1-3-12(2,5-8-16)13-9-11(17)10-15-7-4-6-14-15/h4,6-7,11,13,16-17H,3,5,8-10H2,1-2H3
InChIKeyCYKPVZFNNRBUTJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.38
Rot. Bonds8

About 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol

3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol (PubChem CID 106175484) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol
PubChem CID106175484
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)Cn1cccn1
InChIInChI=1S/C12H23N3O2/c1-3-12(2,5-8-16)13-9-11(17)10-15-7-4-6-14-15/h4,6-7,11,13,16-17H,3,5,8-10H2,1-2H3
InChIKeyCYKPVZFNNRBUTJ-UHFFFAOYSA-N
XLogP0.38
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
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
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442
1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 83021560
1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106229335
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
(2R)-1-methoxy-3-pyrazol-1-ylpropan-2-ol
CID 131206814
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol (CID 106175484) is 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)NCC(O)Cn1cccn1.
What is the InChIKey of 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol?
The InChIKey is CYKPVZFNNRBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-12(2,5-8-16)13-9-11(17)10-15-7-4-6-14-15/h4,6-7,11,13,16-17H,3,5,8-10H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol?
3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106175484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).