(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol

C9H17N3O2 — CID 96859628

IUPAC(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol
SMILESCOc1c([C@@H](O)CCN)c(C)nn1C
InChIInChI=1S/C9H17N3O2/c1-6-8(7(13)4-5-10)9(14-3)12(2)11-6/h7,13H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeyULUWRUKDTFVAAI-ZETCQYMHSA-N
MW199.25 g/mol
LogP0.12
Rot. Bonds4

About (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol

(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol (PubChem CID 96859628) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol
PubChem CID96859628
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol
SMILESCOc1c([C@@H](O)CCN)c(C)nn1C
InChIInChI=1S/C9H17N3O2/c1-6-8(7(13)4-5-10)9(14-3)12(2)11-6/h7,13H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeyULUWRUKDTFVAAI-ZETCQYMHSA-N
XLogP0.12
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 51104686
2,2,2-trifluoro-1-(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 80133961
4,4,4-Trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 80134436
2,2-difluoro-1-(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 80605105
(1R)-3,3,3-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 104941051
(1S)-3,3,3-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 104941059
1-[1-[(3-Ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935878
5,5,5-Trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol
CID 115515665
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115876825
3,3,3-Trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 116016718
3-fluoro-3-(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 165616997
(1R)-2,2,2-trifluoro-1-(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 165633864

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol (CID 96859628) is (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol is COc1c([C@@H](O)CCN)c(C)nn1C.
What is the InChIKey of (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is ULUWRUKDTFVAAI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6-8(7(13)4-5-10)9(14-3)12(2)11-6/h7,13H,4-5,10H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol?
(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 199.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 96859628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).