2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol

C9H17N3O — CID 83089118

IUPAC2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(C)cc1CC(CN)CO
InChIInChI=1S/C9H17N3O/c1-7-9(5-12(2)11-7)3-8(4-10)6-13/h5,8,13H,3-4,6,10H2,1-2H3
InChIKeyQSTGEUJNHFDCGF-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.16
Rot. Bonds4

About 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol

2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol (PubChem CID 83089118) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol
PubChem CID83089118
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(C)cc1CC(CN)CO
InChIInChI=1S/C9H17N3O/c1-7-9(5-12(2)11-7)3-8(4-10)6-13/h5,8,13H,3-4,6,10H2,1-2H3
InChIKeyQSTGEUJNHFDCGF-UHFFFAOYSA-N
XLogP-0.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 40599781
1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896
1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride
CID 170889539
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
CID 83090697
(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 125425002
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
4-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 127002490
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide
CID 112669544
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
2-bromo-1-(1,3-dimethylpyrazol-4-yl)-4,4-dimethylpentan-3-one
CID 102807373

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol (CID 83089118) is 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol is Cc1nn(C)cc1CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is QSTGEUJNHFDCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-9(5-12(2)11-7)3-8(4-10)6-13/h5,8,13H,3-4,6,10H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol?
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 83089118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).