1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole

C15H26N4 — CID 163865872

IUPAC1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C)c1.CCn1cc(C(C)C)cn1
InChIInChI=1S/C8H14N2.C7H12N2/c1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7/h5-7H,4H2,1-3H3;4-6H,1-3H3
InChIKeyPGOJAOZGROJVTN-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.57
Rot. Bonds3

About 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole

1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole (PubChem CID 163865872) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
PubChem CID163865872
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C)c1.CCn1cc(C(C)C)cn1
InChIInChI=1S/C8H14N2.C7H12N2/c1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7/h5-7H,4H2,1-3H3;4-6H,1-3H3
InChIKeyPGOJAOZGROJVTN-UHFFFAOYSA-N
XLogP3.57
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole?
The IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole (CID 163865872) is 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole?
The canonical SMILES for 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole is CC(C)c1cnn(C)c1.CCn1cc(C(C)C)cn1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole?
The InChIKey is PGOJAOZGROJVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H12N2/c1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7/h5-7H,4H2,1-3H3;4-6H,1-3H3.
What are the key properties of 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole?
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole has a molecular weight of 262.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 163865872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).