N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine

C15H21N3 — CID 43543382

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H21N3/c1-5-18-10-15(9-16-18)17-13(4)14-7-6-11(2)12(3)8-14/h6-10,13,17H,5H2,1-4H3
InChIKeyDRQUKBXBZLRGOT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine

N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine (PubChem CID 43543382) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
PubChem CID43543382
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H21N3/c1-5-18-10-15(9-16-18)17-13(4)14-7-6-11(2)12(3)8-14/h6-10,13,17H,5H2,1-4H3
InChIKeyDRQUKBXBZLRGOT-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543267
2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol
CID 110011576
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
[(3,4-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289747
N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine
CID 60781763
2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol
CID 43543251
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine
CID 43543260

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine (CID 43543382) is N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine is CCn1cc(NC(C)c2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine?
The InChIKey is DRQUKBXBZLRGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-18-10-15(9-16-18)17-13(4)14-7-6-11(2)12(3)8-14/h6-10,13,17H,5H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43543382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).