N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine

C17H25N3 — CID 66022276

IUPACN-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2cn(CCC)nc2C)c1
InChIInChI=1S/C17H25N3/c1-4-9-18-12-15-7-6-8-16(11-15)17-13-20(10-5-2)19-14(17)3/h6-8,11,13,18H,4-5,9-10,12H2,1-3H3
InChIKeyOXMCEAOPJGWWFJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.77
Rot. Bonds7

About N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine

N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine (PubChem CID 66022276) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
PubChem CID66022276
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2cn(CCC)nc2C)c1
InChIInChI=1S/C17H25N3/c1-4-9-18-12-15-7-6-8-16(11-15)17-13-20(10-5-2)19-14(17)3/h6-8,11,13,18H,4-5,9-10,12H2,1-3H3
InChIKeyOXMCEAOPJGWWFJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66022687
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448
1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine
CID 66022891
N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 105410059
N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66021859
N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66021648
1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66020423
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61034428
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 66007460
N-[(3-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine
CID 102626428

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine (CID 66022276) is N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(-c2cn(CCC)nc2C)c1.
What is the InChIKey of N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The InChIKey is OXMCEAOPJGWWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-9-18-12-15-7-6-8-16(11-15)17-13-20(10-5-2)19-14(17)3/h6-8,11,13,18H,4-5,9-10,12H2,1-3H3.
What are the key properties of N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 66022276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).