3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine

C13H21N5 — CID 83223265

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCCn1nc(C)c(-c2nn(C(C)C)cc2N)c1C
InChIInChI=1S/C13H21N5/c1-6-17-10(5)12(9(4)15-17)13-11(14)7-18(16-13)8(2)3/h7-8H,6,14H2,1-5H3
InChIKeyQGKLBXXASFFZHL-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.55
Rot. Bonds3

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 83223265) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine
PubChem CID83223265
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCCn1nc(C)c(-c2nn(C(C)C)cc2N)c1C
InChIInChI=1S/C13H21N5/c1-6-17-10(5)12(9(4)15-17)13-11(14)7-18(16-13)8(2)3/h7-8H,6,14H2,1-5H3
InChIKeyQGKLBXXASFFZHL-UHFFFAOYSA-N
XLogP2.55
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine (CID 83223265) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine is CCn1nc(C)c(-c2nn(C(C)C)cc2N)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is QGKLBXXASFFZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-6-17-10(5)12(9(4)15-17)13-11(14)7-18(16-13)8(2)3/h7-8H,6,14H2,1-5H3.
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 83223265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).