N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine

C17H33N3 — CID 83168483

IUPACN-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine
SMILESCc1nn(CCCC(C)C)c(C)c1CCNCC(C)C
InChIInChI=1S/C17H33N3/c1-13(2)8-7-11-20-16(6)17(15(5)19-20)9-10-18-12-14(3)4/h13-14,18H,7-12H2,1-6H3
InChIKeyZPYUUQVZYHDBSH-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.72
Rot. Bonds9

About N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine

N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 83168483) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine
PubChem CID83168483
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine
SMILESCc1nn(CCCC(C)C)c(C)c1CCNCC(C)C
InChIInChI=1S/C17H33N3/c1-13(2)8-7-11-20-16(6)17(15(5)19-20)9-10-18-12-14(3)4/h13-14,18H,7-12H2,1-6H3
InChIKeyZPYUUQVZYHDBSH-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.72
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-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine (CID 83168483) is N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine is Cc1nn(CCCC(C)C)c(C)c1CCNCC(C)C.
What is the InChIKey of N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is ZPYUUQVZYHDBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-13(2)8-7-11-20-16(6)17(15(5)19-20)9-10-18-12-14(3)4/h13-14,18H,7-12H2,1-6H3.
What are the key properties of N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine?
N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83168483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).