1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine

C18H27N3 — CID 105158723

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
SMILESCCNC(CCc1cccc(C)c1)Cc1cc(C)nn1C
InChIInChI=1S/C18H27N3/c1-5-19-17(13-18-12-15(3)20-21(18)4)10-9-16-8-6-7-14(2)11-16/h6-8,11-12,17,19H,5,9-10,13H2,1-4H3
InChIKeyNQNXNXKESOZHDY-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.19
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine (PubChem CID 105158723) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
PubChem CID105158723
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
SMILESCCNC(CCc1cccc(C)c1)Cc1cc(C)nn1C
InChIInChI=1S/C18H27N3/c1-5-19-17(13-18-12-15(3)20-21(18)4)10-9-16-8-6-7-14(2)11-16/h6-8,11-12,17,19H,5,9-10,13H2,1-4H3
InChIKeyNQNXNXKESOZHDY-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105158653
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105158512
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105162422
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105160252
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine
CID 105158513
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79417456
N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
CID 105108675
[1-(2,5-dimethylpyrazol-3-yl)-4-(2-methylphenyl)butan-2-yl]hydrazine
CID 105315719
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
CID 105109667
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine (CID 105158723) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine is CCNC(CCc1cccc(C)c1)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine?
The InChIKey is NQNXNXKESOZHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-19-17(13-18-12-15(3)20-21(18)4)10-9-16-8-6-7-14(2)11-16/h6-8,11-12,17,19H,5,9-10,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105158723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).