1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine

C13H25N3 — CID 107893691

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cn(C)nc1C
InChIInChI=1S/C13H25N3/c1-6-8-10(3)13(14-7-2)12-9-16(5)15-11(12)4/h9-10,13-14H,6-8H2,1-5H3
InChIKeyQHWAEDMMMLBUMX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.82
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 107893691) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
PubChem CID107893691
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cn(C)nc1C
InChIInChI=1S/C13H25N3/c1-6-8-10(3)13(14-7-2)12-9-16(5)15-11(12)4/h9-10,13-14H,6-8H2,1-5H3
InChIKeyQHWAEDMMMLBUMX-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine
CID 107893651
1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine
CID 102804208
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358
1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 102804528
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893826
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
1-(1,3-dimethylpyrazol-4-yl)-N-ethylpent-4-yn-1-amine
CID 102803730
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 102804477
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine (CID 107893691) is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is QHWAEDMMMLBUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-8-10(3)13(14-7-2)12-9-16(5)15-11(12)4/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 107893691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).