5-chloro-3-methyl-1-propylpyrazole

C7H11ClN2 — CID 21433354

IUPAC5-chloro-3-methyl-1-propylpyrazole
SMILESCCCn1nc(C)cc1Cl
InChIInChI=1S/C7H11ClN2/c1-3-4-10-7(8)5-6(2)9-10/h5H,3-4H2,1-2H3
InChIKeyNZNSTUBGYOKANZ-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.25
Rot. Bonds2

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

5-chloro-3-methyl-1-propylpyrazole (PubChem CID 21433354) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-propylpyrazole.

Molecular Properties

Compound Name5-chloro-3-methyl-1-propylpyrazole
PubChem CID21433354
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name5-chloro-3-methyl-1-propylpyrazole
SMILESCCCn1nc(C)cc1Cl
InChIInChI=1S/C7H11ClN2/c1-3-4-10-7(8)5-6(2)9-10/h5H,3-4H2,1-2H3
InChIKeyNZNSTUBGYOKANZ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-propylpyrazole?
The IUPAC name of 5-chloro-3-methyl-1-propylpyrazole (CID 21433354) is 5-chloro-3-methyl-1-propylpyrazole.
What is the SMILES notation for 5-chloro-3-methyl-1-propylpyrazole?
The canonical SMILES for 5-chloro-3-methyl-1-propylpyrazole is CCCn1nc(C)cc1Cl.
What is the InChIKey of 5-chloro-3-methyl-1-propylpyrazole?
The InChIKey is NZNSTUBGYOKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-3-4-10-7(8)5-6(2)9-10/h5H,3-4H2,1-2H3.
What are the key properties of 5-chloro-3-methyl-1-propylpyrazole?
5-chloro-3-methyl-1-propylpyrazole has a molecular weight of 158.63 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-propylpyrazole is sourced from PubChem (CID 21433354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).