N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine

C17H25N3 — CID 43310036

IUPACN-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCc1ccc(C(CC)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H25N3/c1-6-14-8-10-15(11-9-14)16(7-2)18-17-12(3)19-20(5)13(17)4/h8-11,16,18H,6-7H2,1-5H3
InChIKeyXOFAWJWFWVQQHO-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.16
Rot. Bonds5

About N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine

N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43310036) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID43310036
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCc1ccc(C(CC)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H25N3/c1-6-14-8-10-15(11-9-14)16(7-2)18-17-12(3)19-20(5)13(17)4/h8-11,16,18H,6-7H2,1-5H3
InChIKeyXOFAWJWFWVQQHO-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547100
1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 43204555
N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine
CID 62632681
1,3,5-trimethyl-N-[1-(4-phenoxyphenyl)butyl]pyrazol-4-amine
CID 166338702
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60933440
N-[1-(4-ethylphenyl)propyl]-2-methylpyridin-3-amine
CID 79041976
N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105121579
[2-(4-ethylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105287881
N-[1-(4-ethylphenyl)propyl]-2-methylaniline
CID 43309999
2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 83079259
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine
CID 43543260

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine (CID 43310036) is N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine is CCc1ccc(C(CC)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is XOFAWJWFWVQQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-14-8-10-15(11-9-14)16(7-2)18-17-12(3)19-20(5)13(17)4/h8-11,16,18H,6-7H2,1-5H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine?
N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43310036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).