N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C18H27N3 — CID 105187849

IUPACN-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C18H27N3/c1-6-9-15-10-8-11-16(12-15)18(19-7-2)17-13(3)20-21(5)14(17)4/h8,10-12,18-19H,6-7,9H2,1-5H3
InChIKeyFSMWKIRNDQLECD-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.69
Rot. Bonds6

About N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 105187849) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID105187849
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C18H27N3/c1-6-9-15-10-8-11-16(12-15)18(19-7-2)17-13(3)20-21(5)14(17)4/h8,10-12,18-19H,6-7,9H2,1-5H3
InChIKeyFSMWKIRNDQLECD-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187932
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188112
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187988
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105187854
N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105121579
N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105096984
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-[(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105174720

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 105187849) is N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is CCCc1cccc(C(NCC)c2c(C)nn(C)c2C)c1.
What is the InChIKey of N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is FSMWKIRNDQLECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-9-15-10-8-11-16(12-15)18(19-7-2)17-13(3)20-21(5)14(17)4/h8,10-12,18-19H,6-7,9H2,1-5H3.
What are the key properties of N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105187849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).