1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole

C15H18N2 — CID 121383014

IUPAC1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1ccc(-c2cnn(C3CC3)c2)cc1
InChIInChI=1S/C15H18N2/c1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)15-7-8-15/h3-6,9-11,15H,7-8H2,1-2H3
InChIKeyBGWGGVZKXJQRLO-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.01
Rot. Bonds3

About 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole

1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole (PubChem CID 121383014) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
PubChem CID121383014
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1ccc(-c2cnn(C3CC3)c2)cc1
InChIInChI=1S/C15H18N2/c1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)15-7-8-15/h3-6,9-11,15H,7-8H2,1-2H3
InChIKeyBGWGGVZKXJQRLO-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole?
The IUPAC name of 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole (CID 121383014) is 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole is CC(C)c1ccc(-c2cnn(C3CC3)c2)cc1.
What is the InChIKey of 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole?
The InChIKey is BGWGGVZKXJQRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(2)12-3-5-13(6-4-12)14-9-16-17(10-14)15-7-8-15/h3-6,9-11,15H,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole?
1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole has a molecular weight of 226.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 121383014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).