1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine

C18H27N3 — CID 105162422

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCCn1nc(C)cc1CC(CCc1cccc(C)c1)NC
InChIInChI=1S/C18H27N3/c1-5-21-18(12-15(3)20-21)13-17(19-4)10-9-16-8-6-7-14(2)11-16/h6-8,11-12,17,19H,5,9-10,13H2,1-4H3
InChIKeyXUMCKYVTODDYMG-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.28
Rot. Bonds7

About 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine (PubChem CID 105162422) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
PubChem CID105162422
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCCn1nc(C)cc1CC(CCc1cccc(C)c1)NC
InChIInChI=1S/C18H27N3/c1-5-21-18(12-15(3)20-21)13-17(19-4)10-9-16-8-6-7-14(2)11-16/h6-8,11-12,17,19H,5,9-10,13H2,1-4H3
InChIKeyXUMCKYVTODDYMG-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
CID 105109667
[1-(2-ethyl-5-methylpyrazol-3-yl)-4-phenylbutan-2-yl]hydrazine
CID 105205592
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
CID 105002717
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105160993
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105180377
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 105204664
1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 105138418
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine
CID 105162471
1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine
CID 66144856

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine (CID 105162422) is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine is CCn1nc(C)cc1CC(CCc1cccc(C)c1)NC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The InChIKey is XUMCKYVTODDYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-21-18(12-15(3)20-21)13-17(19-4)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-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105162422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).