4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine

C15H30N4 — CID 55236586

IUPAC4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine
SMILESCCC(CC)CN(CC)c1c(CCN)c(C)nn1C
InChIInChI=1S/C15H30N4/c1-6-13(7-2)11-19(8-3)15-14(9-10-16)12(4)17-18(15)5/h13H,6-11,16H2,1-5H3
InChIKeyVQEFQCMBESWVNL-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.49
Rot. Bonds8

About 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine

4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 55236586) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine
PubChem CID55236586
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine
SMILESCCC(CC)CN(CC)c1c(CCN)c(C)nn1C
InChIInChI=1S/C15H30N4/c1-6-13(7-2)11-19(8-3)15-14(9-10-16)12(4)17-18(15)5/h13H,6-11,16H2,1-5H3
InChIKeyVQEFQCMBESWVNL-UHFFFAOYSA-N
XLogP2.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998272
4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
CID 55237561
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine
CID 63785849
4-(aminomethyl)-N-ethyl-1,3-dimethyl-N-propylpyrazol-5-amine
CID 43268986
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
CID 63865652
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
4-(aminomethyl)-N,1,3-trimethyl-N-(2-methylbutyl)pyrazol-5-amine
CID 43296122
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
4-[(tert-butylamino)methyl]-N-ethyl-1,3-dimethyl-N-(2-methylpropyl)pyrazol-5-amine
CID 63059837
4-(aminomethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine
CID 79483836
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine (CID 55236586) is 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine is CCC(CC)CN(CC)c1c(CCN)c(C)nn1C.
What is the InChIKey of 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is VQEFQCMBESWVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-13(7-2)11-19(8-3)15-14(9-10-16)12(4)17-18(15)5/h13H,6-11,16H2,1-5H3.
What are the key properties of 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine?
4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 266.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 55236586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).