5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C12H20N6 — CID 114251469

IUPAC5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCn1ccc(Nc2c(N)c(C)nn2C(C)C)n1
InChIInChI=1S/C12H20N6/c1-5-17-7-6-10(16-17)14-12-11(13)9(4)15-18(12)8(2)3/h6-8H,5,13H2,1-4H3,(H,14,16)
InChIKeyUANWARQPDNSGBI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.31
Rot. Bonds4

About 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 114251469) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID114251469
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCn1ccc(Nc2c(N)c(C)nn2C(C)C)n1
InChIInChI=1S/C12H20N6/c1-5-17-7-6-10(16-17)14-12-11(13)9(4)15-18(12)8(2)3/h6-8H,5,13H2,1-4H3,(H,14,16)
InChIKeyUANWARQPDNSGBI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 114251469) is 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is CCn1ccc(Nc2c(N)c(C)nn2C(C)C)n1.
What is the InChIKey of 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is UANWARQPDNSGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5-17-7-6-10(16-17)14-12-11(13)9(4)15-18(12)8(2)3/h6-8H,5,13H2,1-4H3,(H,14,16).
What are the key properties of 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 248.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 114251469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).