3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole

C13H20N4 — CID 121499838

IUPAC3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole
SMILESCCCn1nccc1-c1cn(C(C)C)nc1C
InChIInChI=1S/C13H20N4/c1-5-8-16-13(6-7-14-16)12-9-17(10(2)3)15-11(12)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyRUAKFMOVWHJTGB-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.05
Rot. Bonds4

About 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole

3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole (PubChem CID 121499838) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole
PubChem CID121499838
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole
SMILESCCCn1nccc1-c1cn(C(C)C)nc1C
InChIInChI=1S/C13H20N4/c1-5-8-16-13(6-7-14-16)12-9-17(10(2)3)15-11(12)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyRUAKFMOVWHJTGB-UHFFFAOYSA-N
XLogP3.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole?
The IUPAC name of 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole (CID 121499838) is 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole.
What is the SMILES notation for 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole?
The canonical SMILES for 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole is CCCn1nccc1-c1cn(C(C)C)nc1C.
What is the InChIKey of 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole?
The InChIKey is RUAKFMOVWHJTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-5-8-16-13(6-7-14-16)12-9-17(10(2)3)15-11(12)4/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole?
3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole has a molecular weight of 232.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-4-(2-propylpyrazol-3-yl)pyrazole is sourced from PubChem (CID 121499838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).