3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole

C10H18N2 — CID 158331076

IUPAC3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole
SMILESCC(C)CC1=NN=C(C(C)C)C1
InChIInChI=1S/C10H18N2/c1-7(2)5-9-6-10(8(3)4)12-11-9/h7-8H,5-6H2,1-4H3
InChIKeySEWVXFWHXUJWJL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.89
Rot. Bonds3

About 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole

3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole (PubChem CID 158331076) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole
PubChem CID158331076
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole
SMILESCC(C)CC1=NN=C(C(C)C)C1
InChIInChI=1S/C10H18N2/c1-7(2)5-9-6-10(8(3)4)12-11-9/h7-8H,5-6H2,1-4H3
InChIKeySEWVXFWHXUJWJL-UHFFFAOYSA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole?
The IUPAC name of 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole (CID 158331076) is 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole?
The canonical SMILES for 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole is CC(C)CC1=NN=C(C(C)C)C1.
What is the InChIKey of 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole?
The InChIKey is SEWVXFWHXUJWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)5-9-6-10(8(3)4)12-11-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole?
3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-propan-2-yl-4H-pyrazole is sourced from PubChem (CID 158331076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).