1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine

C13H25N3 — CID 102811930

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cn(C)nc1CC
InChIInChI=1S/C13H25N3/c1-5-8-13(14-9-6-2)11-10-16(4)15-12(11)7-3/h10,13-14H,5-9H2,1-4H3
InChIKeyIINQZGUOORSQKQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.82
Rot. Bonds7

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

1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine (PubChem CID 102811930) 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-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
PubChem CID102811930
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cn(C)nc1CC
InChIInChI=1S/C13H25N3/c1-5-8-13(14-9-6-2)11-10-16(4)15-12(11)7-3/h10,13-14H,5-9H2,1-4H3
InChIKeyIINQZGUOORSQKQ-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 102812433
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
CID 107012014
1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine
CID 107893651
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102812507
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylprop-2-yn-1-amine
CID 102812510
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
3-[[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 112669542
1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 102812867
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
1-(3-ethyl-1-methylpyrazol-4-yl)decylhydrazine
CID 102813033

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine (CID 102811930) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1cn(C)nc1CC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
The InChIKey is IINQZGUOORSQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-8-13(14-9-6-2)11-10-16(4)15-12(11)7-3/h10,13-14H,5-9H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.82, 7 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-propylbutan-1-amine is sourced from PubChem (CID 102811930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).