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

C14H19N3O — CID 79583614

IUPAC2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol
SMILESCc1c(C(O)C(N)Cc2ccccc2)cnn1C
InChIInChI=1S/C14H19N3O/c1-10-12(9-16-17(10)2)14(18)13(15)8-11-6-4-3-5-7-11/h3-7,9,13-14,18H,8,15H2,1-2H3
InChIKeyNPOLULUBMZEFOF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.33
Rot. Bonds4

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

2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol (PubChem CID 79583614) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol
PubChem CID79583614
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol
SMILESCc1c(C(O)C(N)Cc2ccccc2)cnn1C
InChIInChI=1S/C14H19N3O/c1-10-12(9-16-17(10)2)14(18)13(15)8-11-6-4-3-5-7-11/h3-7,9,13-14,18H,8,15H2,1-2H3
InChIKeyNPOLULUBMZEFOF-UHFFFAOYSA-N
XLogP1.33
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 103572276
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542679
2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79583885
2-(aminomethyl)-1-(1,5-dimethylpyrazol-4-yl)pentan-1-ol
CID 79595137
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanenitrile
CID 171871617
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol?
The IUPAC name of 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol (CID 79583614) is 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol is Cc1c(C(O)C(N)Cc2ccccc2)cnn1C.
What is the InChIKey of 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol?
The InChIKey is NPOLULUBMZEFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-12(9-16-17(10)2)14(18)13(15)8-11-6-4-3-5-7-11/h3-7,9,13-14,18H,8,15H2,1-2H3.
What are the key properties of 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol?
2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 79583614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).