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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 84776613
5-ethyl-1,4-di(propan-2-yl)pyrazole
CID 146648119
5-chloro-1-propan-2-ylpyrazole-4-carbaldehyde
CID 84717472
5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 176763523
1-(5-chloro-1-propan-2-ylpyrazol-4-yl)piperazine
CID 84792486
1,5-di(propan-2-yl)triazole
CID 161103432
5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine
CID 176811583
[1-(5-chloro-1-propan-2-ylpyrazol-4-yl)cyclopropyl]methanamine
CID 84783283
4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
CID 177038898
1,5-di(propan-2-yl)pyrazol-4-amine
CID 66442434
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203

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).