3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane

C24H39N3 — CID 145090700

IUPAC3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane
SMILESC=Cc1ccc(CCCN(C)C)cc1-c1cnn(C)c1.CCCCCCC
InChIInChI=1S/C17H23N3.C7H16/c1-5-15-9-8-14(7-6-10-19(2)3)11-17(15)16-12-18-20(4)13-16;1-3-5-7-6-4-2/h5,8-9,11-13H,1,6-7,10H2,2-4H3;3-7H2,1-2H3
InChIKeyLDDOEGKAZCEEKO-UHFFFAOYSA-N
MW369.60 g/mol
LogP6.20
Rot. Bonds10

About 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane

3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane (PubChem CID 145090700) has the molecular formula C24H39N3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane.

Molecular Properties

Compound Name3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane
PubChem CID145090700
Molecular FormulaC24H39N3
Molecular Weight369.60 g/mol
Exact Mass369.31
IUPAC Name3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane
SMILESC=Cc1ccc(CCCN(C)C)cc1-c1cnn(C)c1.CCCCCCC
InChIInChI=1S/C17H23N3.C7H16/c1-5-15-9-8-14(7-6-10-19(2)3)11-17(15)16-12-18-20(4)13-16;1-3-5-7-6-4-2/h5,8-9,11-13H,1,6-7,10H2,2-4H3;3-7H2,1-2H3
InChIKeyLDDOEGKAZCEEKO-UHFFFAOYSA-N
XLogP6.20
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)aniline;octane
CID 145105907
N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
CID 145234947
1-ethenyl-2-(4-hexylphenyl)benzene
CID 173095750
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
1,4-dibutyl-2-ethenylbenzene
CID 140596757
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
2-[2-[2-[2-(dimethylamino)ethyl]-4-nonylphenoxy]-5-nonylphenyl]-N,N-dimethylethanamine
CID 71439166
N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine
CID 174197113
4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene
CID 142240951
18-ethyl-7-hexyl-2,11,15-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59467624
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 166711063

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane?
The IUPAC name of 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane (CID 145090700) is 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane.
What is the SMILES notation for 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane?
The canonical SMILES for 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane is C=Cc1ccc(CCCN(C)C)cc1-c1cnn(C)c1.CCCCCCC.
What is the InChIKey of 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane?
The InChIKey is LDDOEGKAZCEEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.C7H16/c1-5-15-9-8-14(7-6-10-19(2)3)11-17(15)16-12-18-20(4)13-16;1-3-5-7-6-4-2/h5,8-9,11-13H,1,6-7,10H2,2-4H3;3-7H2,1-2H3.
What are the key properties of 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane?
3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane has a molecular weight of 369.60 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethenyl-3-(1-methylpyrazol-4-yl)phenyl]-N,N-dimethylpropan-1-amine;heptane is sourced from PubChem (CID 145090700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).