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

C16H31N3 — CID 62732283

IUPAC1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCCC(C)Cn1nc(C)c(C(CC)NCC)c1C
InChIInChI=1S/C16H31N3/c1-7-10-12(4)11-19-14(6)16(13(5)18-19)15(8-2)17-9-3/h12,15,17H,7-11H2,1-6H3
InChIKeyIPFUNQGUUCXMDB-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.00
Rot. Bonds8

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

1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 62732283) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID62732283
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCCC(C)Cn1nc(C)c(C(CC)NCC)c1C
InChIInChI=1S/C16H31N3/c1-7-10-12(4)11-19-14(6)16(13(5)18-19)15(8-2)17-9-3/h12,15,17H,7-11H2,1-6H3
InChIKeyIPFUNQGUUCXMDB-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 62732283) is 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCCC(C)Cn1nc(C)c(C(CC)NCC)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is IPFUNQGUUCXMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-7-10-12(4)11-19-14(6)16(13(5)18-19)15(8-2)17-9-3/h12,15,17H,7-11H2,1-6H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62732283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).