1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine

C13H25N3 — CID 102812156

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
SMILESCCc1nn(C)cc1C(CCC(C)C)NC
InChIInChI=1S/C13H25N3/c1-6-12-11(9-16(5)15-12)13(14-4)8-7-10(2)3/h9-10,13-14H,6-8H2,1-5H3
InChIKeyIMJLLLJHKXZBJB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.68
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine

1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine (PubChem CID 102812156) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
PubChem CID102812156
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
SMILESCCc1nn(C)cc1C(CCC(C)C)NC
InChIInChI=1S/C13H25N3/c1-6-12-11(9-16(5)15-12)13(14-4)8-7-10(2)3/h9-10,13-14H,6-8H2,1-5H3
InChIKeyIMJLLLJHKXZBJB-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
CID 107011544
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
CID 102812096
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812422
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
CID 112671170
2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812752
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
1-(3-ethyl-1-methylpyrazol-4-yl)decylhydrazine
CID 102813033
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine (CID 102812156) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine is CCc1nn(C)cc1C(CCC(C)C)NC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine?
The InChIKey is IMJLLLJHKXZBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-12-11(9-16(5)15-12)13(14-4)8-7-10(2)3/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 102812156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).