4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine

C13H25N3 — CID 112671485

IUPAC4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cn(C)nc1CC
InChIInChI=1S/C13H25N3/c1-5-9-14-11(3)7-8-12-10-16(4)15-13(12)6-2/h10-11,14H,5-9H2,1-4H3
InChIKeyXVODVMWLOSDYBY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.30
Rot. Bonds7

About 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine

4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine (PubChem CID 112671485) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
PubChem CID112671485
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cn(C)nc1CC
InChIInChI=1S/C13H25N3/c1-5-9-14-11(3)7-8-12-10-16(4)15-13(12)6-2/h10-11,14H,5-9H2,1-4H3
InChIKeyXVODVMWLOSDYBY-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 83094527
N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 112671374
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115885307
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115885755
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine
CID 115895160
1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine
CID 107893651
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 102810428
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine (CID 112671485) is 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine is CCCNC(C)CCc1cn(C)nc1CC.
What is the InChIKey of 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is XVODVMWLOSDYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-9-14-11(3)7-8-12-10-16(4)15-13(12)6-2/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 112671485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).