N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine

C15H25N5 — CID 62730637

IUPACN-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCCNC(C)c1c(C)nn(Cc2cnn(CC)c2)c1C
InChIInChI=1S/C15H25N5/c1-6-16-11(3)15-12(4)18-20(13(15)5)10-14-8-17-19(7-2)9-14/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyRJGADAWSHZQDPS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.44
Rot. Bonds6

About N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine

N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 62730637) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID62730637
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCCNC(C)c1c(C)nn(Cc2cnn(CC)c2)c1C
InChIInChI=1S/C15H25N5/c1-6-16-11(3)15-12(4)18-20(13(15)5)10-14-8-17-19(7-2)9-14/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyRJGADAWSHZQDPS-UHFFFAOYSA-N
XLogP2.44
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine (CID 62730637) is N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine is CCNC(C)c1c(C)nn(Cc2cnn(CC)c2)c1C.
What is the InChIKey of N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is RJGADAWSHZQDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-6-16-11(3)15-12(4)18-20(13(15)5)10-14-8-17-19(7-2)9-14/h8-9,11,16H,6-7,10H2,1-5H3.
What are the key properties of N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 62730637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).