N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine

C15H29N3 — CID 62566635

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine
SMILESCCc1c(C)nn(C(C)CNCCC(C)C)c1C
InChIInChI=1S/C15H29N3/c1-7-15-13(5)17-18(14(15)6)12(4)10-16-9-8-11(2)3/h11-12,16H,7-10H2,1-6H3
InChIKeyLPTSIRLMIKXUQM-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.26
Rot. Bonds7

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine (PubChem CID 62566635) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine
PubChem CID62566635
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine
SMILESCCc1c(C)nn(C(C)CNCCC(C)C)c1C
InChIInChI=1S/C15H29N3/c1-7-15-13(5)17-18(14(15)6)12(4)10-16-9-8-11(2)3/h11-12,16H,7-10H2,1-6H3
InChIKeyLPTSIRLMIKXUQM-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine (CID 62566635) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine is CCc1c(C)nn(C(C)CNCCC(C)C)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine?
The InChIKey is LPTSIRLMIKXUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-15-13(5)17-18(14(15)6)12(4)10-16-9-8-11(2)3/h11-12,16H,7-10H2,1-6H3.
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62566635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).