4-cyclopropyl-1,5-di(propan-2-yl)pyrazole

C12H20N2 — CID 168800092

IUPAC4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1c(C2CC2)cnn1C(C)C
InChIInChI=1S/C12H20N2/c1-8(2)12-11(10-5-6-10)7-13-14(12)9(3)4/h7-10H,5-6H2,1-4H3
InChIKeyWVTVECXXPRPEPX-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.46
Rot. Bonds3

About 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole

4-cyclopropyl-1,5-di(propan-2-yl)pyrazole (PubChem CID 168800092) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
PubChem CID168800092
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1c(C2CC2)cnn1C(C)C
InChIInChI=1S/C12H20N2/c1-8(2)12-11(10-5-6-10)7-13-14(12)9(3)4/h7-10H,5-6H2,1-4H3
InChIKeyWVTVECXXPRPEPX-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole?
The IUPAC name of 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole (CID 168800092) is 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole is CC(C)c1c(C2CC2)cnn1C(C)C.
What is the InChIKey of 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole?
The InChIKey is WVTVECXXPRPEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)12-11(10-5-6-10)7-13-14(12)9(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole?
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole has a molecular weight of 192.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 168800092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).