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

C8H15N3O — CID 96631923

IUPAC(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
SMILESCc1c([C@@H](O)CCN)cnn1C
InChIInChI=1S/C8H15N3O/c1-6-7(5-10-11(6)2)8(12)3-4-9/h5,8,12H,3-4,9H2,1-2H3/t8-/m0/s1
InChIKeySPMNVJKBYOXKFG-QMMMGPOBSA-N
MW169.23 g/mol
LogP0.11
Rot. Bonds3

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

(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol (PubChem CID 96631923) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
PubChem CID96631923
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
SMILESCc1c([C@@H](O)CCN)cnn1C
InChIInChI=1S/C8H15N3O/c1-6-7(5-10-11(6)2)8(12)3-4-9/h5,8,12H,3-4,9H2,1-2H3/t8-/m0/s1
InChIKeySPMNVJKBYOXKFG-QMMMGPOBSA-N
XLogP0.11
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 105105760
1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
CID 107012235
2-(aminomethyl)-1-(1,5-dimethylpyrazol-4-yl)pentan-1-ol
CID 79595137
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
2-(cyclopropylamino)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584520
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol (CID 96631923) is (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol is Cc1c([C@@H](O)CCN)cnn1C.
What is the InChIKey of (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is SPMNVJKBYOXKFG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-7(5-10-11(6)2)8(12)3-4-9/h5,8,12H,3-4,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol?
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 96631923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).