4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine

C14H28N4 — CID 55237561

IUPAC4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C(C)CC(C)C)c1CCN
InChIInChI=1S/C14H28N4/c1-10(2)9-11(3)17(5)14-13(7-8-15)12(4)16-18(14)6/h10-11H,7-9,15H2,1-6H3
InChIKeyFMLVMOISBCUEAQ-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.10
Rot. Bonds6

About 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine

4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine (PubChem CID 55237561) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
PubChem CID55237561
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C(C)CC(C)C)c1CCN
InChIInChI=1S/C14H28N4/c1-10(2)9-11(3)17(5)14-13(7-8-15)12(4)16-18(14)6/h10-11H,7-9,15H2,1-6H3
InChIKeyFMLVMOISBCUEAQ-UHFFFAOYSA-N
XLogP2.10
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dimethylpyrazol-5-amine
CID 63785849
4-(2-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-dimethylpyrazol-5-amine
CID 55236586
4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
CID 107080060
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
CID 63865652
N'-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998272
3-[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]butanenitrile
CID 63223522
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
CID 107079390
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine
CID 66011670
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine (CID 55237561) is 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine is Cc1nn(C)c(N(C)C(C)CC(C)C)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine?
The InChIKey is FMLVMOISBCUEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-10(2)9-11(3)17(5)14-13(7-8-15)12(4)16-18(14)6/h10-11H,7-9,15H2,1-6H3.
What are the key properties of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine?
4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine has a molecular weight of 252.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 55237561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).