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

C15H29N3 — CID 107893651

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1cn(C)nc1CC)C(C)CCC
InChIInChI=1S/C15H29N3/c1-6-9-12(4)15(16-10-7-2)13-11-18(5)17-14(13)8-3/h11-12,15-16H,6-10H2,1-5H3
InChIKeyFABZAWNINUCMSE-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.46
Rot. Bonds8

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

1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine (PubChem CID 107893651) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine
PubChem CID107893651
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1cn(C)nc1CC)C(C)CCC
InChIInChI=1S/C15H29N3/c1-6-9-12(4)15(16-10-7-2)13-11-18(5)17-14(13)8-3/h11-12,15-16H,6-10H2,1-5H3
InChIKeyFABZAWNINUCMSE-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-propylbutan-1-amine
CID 102811930
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893691
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylprop-2-yn-1-amine
CID 102812510
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
1-(3-ethyl-1-methylpyrazol-4-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 102812433
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
N-[(2,5-difluorophenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 102812310
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 102812782
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
CID 107012014

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine (CID 107893651) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1cn(C)nc1CC)C(C)CCC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is FABZAWNINUCMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-9-12(4)15(16-10-7-2)13-11-18(5)17-14(13)8-3/h11-12,15-16H,6-10H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.46, 8 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)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 107893651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).