N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

C18H27N3 — CID 105096984

IUPACN-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H27N3/c1-7-8-19-18(16-10-12(2)9-13(3)11-16)17-14(4)20-21(6)15(17)5/h9-11,18-19H,7-8H2,1-6H3
InChIKeyIFSBELLJVVECHR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.74
Rot. Bonds5

About N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105096984) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105096984
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H27N3/c1-7-8-19-18(16-10-12(2)9-13(3)11-16)17-14(4)20-21(6)15(17)5/h9-11,18-19H,7-8H2,1-6H3
InChIKeyIFSBELLJVVECHR-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105121579
[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105286716
N-[2,2-difluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 80604939
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105157191
N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105096996
N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107976585
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
N-[(3-chloro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858459
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (CID 105096984) is N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)c1c(C)nn(C)c1C.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is IFSBELLJVVECHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-8-19-18(16-10-12(2)9-13(3)11-16)17-14(4)20-21(6)15(17)5/h9-11,18-19H,7-8H2,1-6H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105096984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).