5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine

C12H20N6 — CID 112668218

IUPAC5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCCc1nn(C)cc1CNc1c(N)c(C)nn1C
InChIInChI=1S/C12H20N6/c1-5-10-9(7-17(3)16-10)6-14-12-11(13)8(2)15-18(12)4/h7,14H,5-6,13H2,1-4H3
InChIKeyAZXGANAVGZYYNB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds4

About 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine

5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 112668218) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine
PubChem CID112668218
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCCc1nn(C)cc1CNc1c(N)c(C)nn1C
InChIInChI=1S/C12H20N6/c1-5-10-9(7-17(3)16-10)6-14-12-11(13)8(2)15-18(12)4/h7,14H,5-6,13H2,1-4H3
InChIKeyAZXGANAVGZYYNB-UHFFFAOYSA-N
XLogP1.22
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 112668224
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365063
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
CID 112668268
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 112672189
4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 112672208
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112549988
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599955
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 112668229
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine (CID 112668218) is 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine is CCc1nn(C)cc1CNc1c(N)c(C)nn1C.
What is the InChIKey of 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is AZXGANAVGZYYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5-10-9(7-17(3)16-10)6-14-12-11(13)8(2)15-18(12)4/h7,14H,5-6,13H2,1-4H3.
What are the key properties of 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 112668218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).