1-(4-pyrazol-1-ylphenyl)propan-1-amine

C12H15N3 — CID 103693301

IUPAC1-(4-pyrazol-1-ylphenyl)propan-1-amine
SMILESCCC(N)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H15N3/c1-2-12(13)10-4-6-11(7-5-10)15-9-3-8-14-15/h3-9,12H,2,13H2,1H3
InChIKeyNDQOIMGXDOTACL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.28
Rot. Bonds3

About 1-(4-pyrazol-1-ylphenyl)propan-1-amine

1-(4-pyrazol-1-ylphenyl)propan-1-amine (PubChem CID 103693301) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(4-pyrazol-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-pyrazol-1-ylphenyl)propan-1-amine
PubChem CID103693301
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-(4-pyrazol-1-ylphenyl)propan-1-amine
SMILESCCC(N)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H15N3/c1-2-12(13)10-4-6-11(7-5-10)15-9-3-8-14-15/h3-9,12H,2,13H2,1H3
InChIKeyNDQOIMGXDOTACL-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(4-pyrazol-1-ylphenyl)butanoic acid
CID 117365098
ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
CID 171898140
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46469513
(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
CID 114066424
3-bromo-1-(4-pyrazol-1-ylphenyl)propane-1,2-diol
CID 171860740
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
methyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
CID 171896348
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazol-1-ylphenyl)propan-1-amine?
The IUPAC name of 1-(4-pyrazol-1-ylphenyl)propan-1-amine (CID 103693301) is 1-(4-pyrazol-1-ylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-pyrazol-1-ylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-pyrazol-1-ylphenyl)propan-1-amine is CCC(N)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(4-pyrazol-1-ylphenyl)propan-1-amine?
The InChIKey is NDQOIMGXDOTACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-12(13)10-4-6-11(7-5-10)15-9-3-8-14-15/h3-9,12H,2,13H2,1H3.
What are the key properties of 1-(4-pyrazol-1-ylphenyl)propan-1-amine?
1-(4-pyrazol-1-ylphenyl)propan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazol-1-ylphenyl)propan-1-amine is sourced from PubChem (CID 103693301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).