5-chloro-1-methyl-3-propylpyrazole

C7H11ClN2 — CID 12035667

IUPAC5-chloro-1-methyl-3-propylpyrazole
SMILESCCCc1cc(Cl)n(C)n1
InChIInChI=1S/C7H11ClN2/c1-3-4-6-5-7(8)10(2)9-6/h5H,3-4H2,1-2H3
InChIKeyKZRXHMCRDXDCMM-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.03
Rot. Bonds2

About 5-chloro-1-methyl-3-propylpyrazole

5-chloro-1-methyl-3-propylpyrazole (PubChem CID 12035667) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-propylpyrazole.

Molecular Properties

Compound Name5-chloro-1-methyl-3-propylpyrazole
PubChem CID12035667
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name5-chloro-1-methyl-3-propylpyrazole
SMILESCCCc1cc(Cl)n(C)n1
InChIInChI=1S/C7H11ClN2/c1-3-4-6-5-7(8)10(2)9-6/h5H,3-4H2,1-2H3
InChIKeyKZRXHMCRDXDCMM-UHFFFAOYSA-N
XLogP2.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-propylpyrazole?
The IUPAC name of 5-chloro-1-methyl-3-propylpyrazole (CID 12035667) is 5-chloro-1-methyl-3-propylpyrazole.
What is the SMILES notation for 5-chloro-1-methyl-3-propylpyrazole?
The canonical SMILES for 5-chloro-1-methyl-3-propylpyrazole is CCCc1cc(Cl)n(C)n1.
What is the InChIKey of 5-chloro-1-methyl-3-propylpyrazole?
The InChIKey is KZRXHMCRDXDCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-3-4-6-5-7(8)10(2)9-6/h5H,3-4H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-3-propylpyrazole?
5-chloro-1-methyl-3-propylpyrazole has a molecular weight of 158.63 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-propylpyrazole is sourced from PubChem (CID 12035667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).