3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol

C12H23N3O — CID 114357670

IUPAC3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol
SMILESCc1cc(C)n(C(CO)C(N)C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-8-6-9(2)15(14-8)10(7-16)11(13)12(3,4)5/h6,10-11,16H,7,13H2,1-5H3
InChIKeyHNYURHCCWCEVKO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.41
Rot. Bonds3

About 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol

3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol (PubChem CID 114357670) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol
PubChem CID114357670
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol
SMILESCc1cc(C)n(C(CO)C(N)C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-8-6-9(2)15(14-8)10(7-16)11(13)12(3,4)5/h6,10-11,16H,7,13H2,1-5H3
InChIKeyHNYURHCCWCEVKO-UHFFFAOYSA-N
XLogP1.41
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-(2-methylpentan-3-yl)pyrazole
CID 91218954
3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol
CID 114357773
2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine
CID 62446833
1-(3,5-dimethylpyrazol-1-yl)ethanol
CID 70567807
3-amino-4,4-dimethyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
CID 114357777
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
CID 62448342
3-(3,5-dimethylpyrazol-1-yl)butanethioamide
CID 60915402
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830
N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
CID 62447016
1-(1-bromoethyl)-3,5-dimethylpyrazole
CID 86146803
2,2-bis(3,5-dimethylpyrazol-1-yl)ethanethioic S-acid
CID 101366355
ethyl 3-(3,5-dimethylpyrazol-1-yl)-4,4,4-trifluorobutanoate
CID 132586250

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol (CID 114357670) is 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol is Cc1cc(C)n(C(CO)C(N)C(C)(C)C)n1.
What is the InChIKey of 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is HNYURHCCWCEVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8-6-9(2)15(14-8)10(7-16)11(13)12(3,4)5/h6,10-11,16H,7,13H2,1-5H3.
What are the key properties of 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol?
3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-dimethylpyrazol-1-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114357670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).