4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine

C10H19N3 — CID 79583961

IUPAC4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine
SMILESCNCCCCc1cnn(C)c1C
InChIInChI=1S/C10H19N3/c1-9-10(8-12-13(9)3)6-4-5-7-11-2/h8,11H,4-7H2,1-3H3
InChIKeyUBCGZCVKIKRQCB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.27
Rot. Bonds5

About 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine

4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine (PubChem CID 79583961) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine
PubChem CID79583961
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine
SMILESCNCCCCc1cnn(C)c1C
InChIInChI=1S/C10H19N3/c1-9-10(8-12-13(9)3)6-4-5-7-11-2/h8,11H,4-7H2,1-3H3
InChIKeyUBCGZCVKIKRQCB-UHFFFAOYSA-N
XLogP1.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.27
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

4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 79584245
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 79596541
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745
N-methyl-4-(1,2,5-trimethylpyrrol-3-yl)butan-1-amine
CID 96670635
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine
CID 115887925
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 115702967
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79578493
2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 83831083
2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115702961
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
CID 102675063
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine (CID 79583961) is 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine is CNCCCCc1cnn(C)c1C.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine?
The InChIKey is UBCGZCVKIKRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9-10(8-12-13(9)3)6-4-5-7-11-2/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine?
4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 79583961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).