4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline

C15H21N3O — CID 114608509

IUPAC4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
SMILESCCCn1cc(OCCCc2ccc(N)cc2)cn1
InChIInChI=1S/C15H21N3O/c1-2-9-18-12-15(11-17-18)19-10-3-4-13-5-7-14(16)8-6-13/h5-8,11-12H,2-4,9-10,16H2,1H3
InChIKeyXDEYDOSITWOZMY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.89
Rot. Bonds7

About 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline

4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline (PubChem CID 114608509) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline.

Molecular Properties

Compound Name4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
PubChem CID114608509
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
SMILESCCCn1cc(OCCCc2ccc(N)cc2)cn1
InChIInChI=1S/C15H21N3O/c1-2-9-18-12-15(11-17-18)19-10-3-4-13-5-7-14(16)8-6-13/h5-8,11-12H,2-4,9-10,16H2,1H3
InChIKeyXDEYDOSITWOZMY-UHFFFAOYSA-N
XLogP2.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propoxy-1-propylpyrazole
CID 116805185
4-[2-(4-nitrophenyl)ethoxy]-1-propylpyrazole
CID 116805115
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
CID 105351322
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
CID 62137722

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline?
The IUPAC name of 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline (CID 114608509) is 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline.
What is the SMILES notation for 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline?
The canonical SMILES for 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline is CCCn1cc(OCCCc2ccc(N)cc2)cn1.
What is the InChIKey of 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline?
The InChIKey is XDEYDOSITWOZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-9-18-12-15(11-17-18)19-10-3-4-13-5-7-14(16)8-6-13/h5-8,11-12H,2-4,9-10,16H2,1H3.
What are the key properties of 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline?
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline is sourced from PubChem (CID 114608509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).