1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine

C12H19N5 — CID 7017745

IUPAC1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCCn1ncc(Cn2nc(C)c(N)c2C)c1C
InChIInChI=1S/C12H19N5/c1-5-16-9(3)11(6-14-16)7-17-10(4)12(13)8(2)15-17/h6H,5,7,13H2,1-4H3
InChIKeyLDNPIQWEOFZKAB-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.66
Rot. Bonds3

About 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine

1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 7017745) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID7017745
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCCn1ncc(Cn2nc(C)c(N)c2C)c1C
InChIInChI=1S/C12H19N5/c1-5-16-9(3)11(6-14-16)7-17-10(4)12(13)8(2)15-17/h6H,5,7,13H2,1-4H3
InChIKeyLDNPIQWEOFZKAB-UHFFFAOYSA-N
XLogP1.66
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine (CID 7017745) is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine is CCn1ncc(Cn2nc(C)c(N)c2C)c1C.
What is the InChIKey of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is LDNPIQWEOFZKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-16-9(3)11(6-14-16)7-17-10(4)12(13)8(2)15-17/h6H,5,7,13H2,1-4H3.
What are the key properties of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 7017745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).