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

C15H29N3 — CID 81020037

IUPAC4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1cc(CC(C)CCNCC(C)C)n(C)n1
InChIInChI=1S/C15H29N3/c1-6-14-10-15(18(5)17-14)9-13(4)7-8-16-11-12(2)3/h10,12-13,16H,6-9,11H2,1-5H3
InChIKeyFHTCORKJMMNHCG-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.80
Rot. Bonds8

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

4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81020037) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81020037
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1cc(CC(C)CCNCC(C)C)n(C)n1
InChIInChI=1S/C15H29N3/c1-6-14-10-15(18(5)17-14)9-13(4)7-8-16-11-12(2)3/h10,12-13,16H,6-9,11H2,1-5H3
InChIKeyFHTCORKJMMNHCG-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
N-[[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027589
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105160117
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83138444
4-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81016090
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018593
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
CID 81018717
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 81020037) is 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CCc1cc(CC(C)CCNCC(C)C)n(C)n1.
What is the InChIKey of 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is FHTCORKJMMNHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-14-10-15(18(5)17-14)9-13(4)7-8-16-11-12(2)3/h10,12-13,16H,6-9,11H2,1-5H3.
What are the key properties of 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81020037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).