2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol

C15H21N3O — CID 103572276

IUPAC2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)C(N)Cc2ccccc2)cn1
InChIInChI=1S/C15H21N3O/c1-2-8-18-11-13(10-17-18)15(19)14(16)9-12-6-4-3-5-7-12/h3-7,10-11,14-15,19H,2,8-9,16H2,1H3
InChIKeyPBFZJBOYWYVMIV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.90
Rot. Bonds6

About 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol

2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol (PubChem CID 103572276) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
PubChem CID103572276
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)C(N)Cc2ccccc2)cn1
InChIInChI=1S/C15H21N3O/c1-2-8-18-11-13(10-17-18)15(19)14(16)9-12-6-4-3-5-7-12/h3-7,10-11,14-15,19H,2,8-9,16H2,1H3
InChIKeyPBFZJBOYWYVMIV-UHFFFAOYSA-N
XLogP1.90
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 65142294
2-amino-1-(1,5-dimethylpyrazol-4-yl)-3-phenylpropan-1-ol
CID 79583614
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
CID 62731819
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62829496
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol (CID 103572276) is 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol is CCCn1cc(C(O)C(N)Cc2ccccc2)cn1.
What is the InChIKey of 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The InChIKey is PBFZJBOYWYVMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-8-18-11-13(10-17-18)15(19)14(16)9-12-6-4-3-5-7-12/h3-7,10-11,14-15,19H,2,8-9,16H2,1H3.
What are the key properties of 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103572276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).