2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol

C9H17N3O — CID 112709525

IUPAC2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
SMILESCC(N)C(O)c1cnn(C(C)C)c1
InChIInChI=1S/C9H17N3O/c1-6(2)12-5-8(4-11-12)9(13)7(3)10/h4-7,9,13H,10H2,1-3H3
InChIKeyCQLQIKQQIOZWHC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol

2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol (PubChem CID 112709525) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
PubChem CID112709525
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
SMILESCC(N)C(O)c1cnn(C(C)C)c1
InChIInChI=1S/C9H17N3O/c1-6(2)12-5-8(4-11-12)9(13)7(3)10/h4-7,9,13H,10H2,1-3H3
InChIKeyCQLQIKQQIOZWHC-UHFFFAOYSA-N
XLogP0.84
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-3-(1-propan-2-ylpyrazol-4-yl)propanenitrile
CID 171869889
2-amino-1-(1-prop-2-ynylpyrazol-4-yl)propan-1-ol
CID 84767898
1-(1-propan-2-ylpyrazol-4-yl)ethanethiol
CID 126561609
[1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol
CID 114075823
4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
CID 83835021
1-propan-2-ylpyrazol-4-amine;dihydrochloride
CID 122360212
2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol
CID 115718660
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
1-but-3-yn-2-yl-4-propan-2-ylpyrazole
CID 88570782
(2S)-2-[4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrazol-1-yl]propanoic acid
CID 171864431
piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol
CID 84735522
methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
CID 114075698

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol (CID 112709525) is 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol is CC(N)C(O)c1cnn(C(C)C)c1.
What is the InChIKey of 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol?
The InChIKey is CQLQIKQQIOZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)12-5-8(4-11-12)9(13)7(3)10/h4-7,9,13H,10H2,1-3H3.
What are the key properties of 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol?
2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 112709525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).