3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol

C15H21N3O — CID 55184716

IUPAC3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol
SMILESNc1c(CCCO)cnn1CCCc1ccccc1
InChIInChI=1S/C15H21N3O/c16-15-14(9-5-11-19)12-17-18(15)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,19H,4-5,8-11,16H2
InChIKeySHFLKBBETPYYBR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds7

About 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol

3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol (PubChem CID 55184716) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol
PubChem CID55184716
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol
SMILESNc1c(CCCO)cnn1CCCc1ccccc1
InChIInChI=1S/C15H21N3O/c16-15-14(9-5-11-19)12-17-18(15)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,19H,4-5,8-11,16H2
InChIKeySHFLKBBETPYYBR-UHFFFAOYSA-N
XLogP2.02
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 63266059
4-methyl-1-(2-phenylethyl)pyrazol-5-amine
CID 43148141
3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol
CID 63376503
5-chloro-1-(3-phenylpropyl)pyrazole-4-carboxylic acid
CID 113373689
cyanamide;3-phenylpropan-1-ol
CID 174483450
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol
CID 63376804
3-(5-amino-1-pyrimidin-4-ylpyrazol-4-yl)propan-1-ol
CID 79816597
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
1-(3-phenylpropyl)indazol-3-amine
CID 62687133
2-(3-phenylpropyl)pyrazole-3-carboxylic acid
CID 60780145
isocyanic acid;3-phenylpropan-1-ol
CID 174947619

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol (CID 55184716) is 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol is Nc1c(CCCO)cnn1CCCc1ccccc1.
What is the InChIKey of 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is SHFLKBBETPYYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15-14(9-5-11-19)12-17-18(15)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,19H,4-5,8-11,16H2.
What are the key properties of 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol?
3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 55184716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).