N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine

C16H23N3 — CID 112700053

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCc1ccc(C)c(C(C)NCCCn2cccn2)c1
InChIInChI=1S/C16H23N3/c1-13-6-7-14(2)16(12-13)15(3)17-8-4-10-19-11-5-9-18-19/h5-7,9,11-12,15,17H,4,8,10H2,1-3H3
InChIKeyOACTURSVFRMPDG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.24
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine

N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 112700053) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID112700053
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCc1ccc(C)c(C(C)NCCCn2cccn2)c1
InChIInChI=1S/C16H23N3/c1-13-6-7-14(2)16(12-13)15(3)17-8-4-10-19-11-5-9-18-19/h5-7,9,11-12,15,17H,4,8,10H2,1-3H3
InChIKeyOACTURSVFRMPDG-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.24
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-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81374023
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708576
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43105785

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine (CID 112700053) is N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine is Cc1ccc(C)c(C(C)NCCCn2cccn2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is OACTURSVFRMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-6-7-14(2)16(12-13)15(3)17-8-4-10-19-11-5-9-18-19/h5-7,9,11-12,15,17H,4,8,10H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 112700053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).