1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine

C13H21N5 — CID 122167136

IUPAC1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
SMILESCCn1ncc(NCc2c(C)cnn2CC)c1C
InChIInChI=1S/C13H21N5/c1-5-17-11(4)12(8-16-17)14-9-13-10(3)7-15-18(13)6-2/h7-8,14H,5-6,9H2,1-4H3
InChIKeyJSEKOYBWINDFPM-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.35
Rot. Bonds5

About 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine

1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine (PubChem CID 122167136) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
PubChem CID122167136
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
SMILESCCn1ncc(NCc2c(C)cnn2CC)c1C
InChIInChI=1S/C13H21N5/c1-5-17-11(4)12(8-16-17)14-9-13-10(3)7-15-18(13)6-2/h7-8,14H,5-6,9H2,1-4H3
InChIKeyJSEKOYBWINDFPM-UHFFFAOYSA-N
XLogP2.35
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine (CID 122167136) is 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine is CCn1ncc(NCc2c(C)cnn2CC)c1C.
What is the InChIKey of 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine?
The InChIKey is JSEKOYBWINDFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-17-11(4)12(8-16-17)14-9-13-10(3)7-15-18(13)6-2/h7-8,14H,5-6,9H2,1-4H3.
What are the key properties of 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine?
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 122167136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).