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

C9H15ClN2 — CID 90145823

IUPAC5-chloro-1,4-di(propan-2-yl)pyrazole
SMILESCC(C)c1cnn(C(C)C)c1Cl
InChIInChI=1S/C9H15ClN2/c1-6(2)8-5-11-12(7(3)4)9(8)10/h5-7H,1-4H3
InChIKeyGZXRVBBXGTUWTD-UHFFFAOYSA-N
MW186.69 g/mol
LogP3.24
Rot. Bonds2

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

5-chloro-1,4-di(propan-2-yl)pyrazole (PubChem CID 90145823) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 5-chloro-1,4-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name5-chloro-1,4-di(propan-2-yl)pyrazole
PubChem CID90145823
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name5-chloro-1,4-di(propan-2-yl)pyrazole
SMILESCC(C)c1cnn(C(C)C)c1Cl
InChIInChI=1S/C9H15ClN2/c1-6(2)8-5-11-12(7(3)4)9(8)10/h5-7H,1-4H3
InChIKeyGZXRVBBXGTUWTD-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-di(propan-2-yl)pyrazole?
The IUPAC name of 5-chloro-1,4-di(propan-2-yl)pyrazole (CID 90145823) is 5-chloro-1,4-di(propan-2-yl)pyrazole.
What is the SMILES notation for 5-chloro-1,4-di(propan-2-yl)pyrazole?
The canonical SMILES for 5-chloro-1,4-di(propan-2-yl)pyrazole is CC(C)c1cnn(C(C)C)c1Cl.
What is the InChIKey of 5-chloro-1,4-di(propan-2-yl)pyrazole?
The InChIKey is GZXRVBBXGTUWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2/c1-6(2)8-5-11-12(7(3)4)9(8)10/h5-7H,1-4H3.
What are the key properties of 5-chloro-1,4-di(propan-2-yl)pyrazole?
5-chloro-1,4-di(propan-2-yl)pyrazole has a molecular weight of 186.69 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,4-di(propan-2-yl)pyrazole is sourced from PubChem (CID 90145823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).