3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine

C16H23N3 — CID 62718617

IUPAC3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1cnn(-c2ccc(C)cc2)c1
InChIInChI=1S/C16H23N3/c1-3-10-17-11-4-5-15-12-18-19(13-15)16-8-6-14(2)7-9-16/h6-9,12-13,17H,3-5,10-11H2,1-2H3
InChIKeySIILCWIYOYHAQM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.11
Rot. Bonds7

About 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine

3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 62718617) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID62718617
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1cnn(-c2ccc(C)cc2)c1
InChIInChI=1S/C16H23N3/c1-3-10-17-11-4-5-15-12-18-19(13-15)16-8-6-14(2)7-9-16/h6-9,12-13,17H,3-5,10-11H2,1-2H3
InChIKeySIILCWIYOYHAQM-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.11
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

3-[1-(3-bromophenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62719469
3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718450
N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
CID 113410199
N-propyl-3-(1-pyrazin-2-ylpyrazol-4-yl)propan-1-amine
CID 81041509
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 55024110
3-[1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 83894149
3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 55111544
3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
CID 62717965
4-[4-[3-(2-methylpropylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719124
4-hexyl-1-(4-methoxyphenyl)pyrazole
CID 122206793
N-[[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 61270360
N-ethyl-3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propan-1-amine
CID 55111123

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine (CID 62718617) is 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine is CCCNCCCc1cnn(-c2ccc(C)cc2)c1.
What is the InChIKey of 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is SIILCWIYOYHAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-10-17-11-4-5-15-12-18-19(13-15)16-8-6-14(2)7-9-16/h6-9,12-13,17H,3-5,10-11H2,1-2H3.
What are the key properties of 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine?
3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62718617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).