5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole

C13H20N4 — CID 170347021

IUPAC5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole
SMILESCc1cc(C(C)C)nn1CC(C)c1ccn[nH]1
InChIInChI=1S/C13H20N4/c1-9(2)13-7-11(4)17(16-13)8-10(3)12-5-6-14-15-12/h5-7,9-10H,8H2,1-4H3,(H,14,15)
InChIKeyDRIOMVQJCZMMFZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.84
Rot. Bonds4

About 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole

5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole (PubChem CID 170347021) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole
PubChem CID170347021
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole
SMILESCc1cc(C(C)C)nn1CC(C)c1ccn[nH]1
InChIInChI=1S/C13H20N4/c1-9(2)13-7-11(4)17(16-13)8-10(3)12-5-6-14-15-12/h5-7,9-10H,8H2,1-4H3,(H,14,15)
InChIKeyDRIOMVQJCZMMFZ-UHFFFAOYSA-N
XLogP2.84
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole?
The IUPAC name of 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole (CID 170347021) is 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole?
The canonical SMILES for 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole is Cc1cc(C(C)C)nn1CC(C)c1ccn[nH]1.
What is the InChIKey of 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole?
The InChIKey is DRIOMVQJCZMMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)13-7-11(4)17(16-13)8-10(3)12-5-6-14-15-12/h5-7,9-10H,8H2,1-4H3,(H,14,15).
What are the key properties of 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole?
5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole has a molecular weight of 232.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole is sourced from PubChem (CID 170347021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).