N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine

C13H25N3 — CID 62566998

IUPACN-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine
SMILESCCC(C)NCC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3/c1-7-9(2)14-8-10(3)16-13(6)11(4)12(5)15-16/h9-10,14H,7-8H2,1-6H3
InChIKeyJOGWKVQAUOZEBG-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine

N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine (PubChem CID 62566998) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine
PubChem CID62566998
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine
SMILESCCC(C)NCC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3/c1-7-9(2)14-8-10(3)16-13(6)11(4)12(5)15-16/h9-10,14H,7-8H2,1-6H3
InChIKeyJOGWKVQAUOZEBG-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 62440976
N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62441752
N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
CID 62441352
N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 81019267
4-methyl-N-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]benzenesulfonamide
CID 40793287
3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62442929
3-(3,4,5-trimethylpyrazol-1-yl)butanethioamide
CID 61226762
3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole
CID 131177145
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol
CID 64810712
2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile
CID 64725352
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62565845
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
CID 62442336

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine?
The IUPAC name of N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine (CID 62566998) is N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine?
The canonical SMILES for N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine is CCC(C)NCC(C)n1nc(C)c(C)c1C.
What is the InChIKey of N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine?
The InChIKey is JOGWKVQAUOZEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-7-9(2)14-8-10(3)16-13(6)11(4)12(5)15-16/h9-10,14H,7-8H2,1-6H3.
What are the key properties of N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine?
N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine is sourced from PubChem (CID 62566998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).