3-(4-chloro-3-methylpyrazol-1-yl)propylazanium

C7H13ClN3+ — CID 7018521

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)propylazanium
SMILESCc1nn(CCC[NH3+])cc1Cl
InChIInChI=1S/C7H12ClN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3/p+1
InChIKeyVZTNIZFBAXFCAP-UHFFFAOYSA-O
MW174.66 g/mol
LogP0.48
Rot. Bonds3

About 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium

3-(4-chloro-3-methylpyrazol-1-yl)propylazanium (PubChem CID 7018521) has the molecular formula C7H13ClN3+ and a molecular weight of 174.66 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)propylazanium
PubChem CID7018521
Molecular FormulaC7H13ClN3+
Molecular Weight174.66 g/mol
Exact Mass174.08
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)propylazanium
SMILESCc1nn(CCC[NH3+])cc1Cl
InChIInChI=1S/C7H12ClN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3/p+1
InChIKeyVZTNIZFBAXFCAP-UHFFFAOYSA-O
XLogP0.48
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium (CID 7018521) is 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium is Cc1nn(CCC[NH3+])cc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium?
The InChIKey is VZTNIZFBAXFCAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12ClN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3/p+1.
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium?
3-(4-chloro-3-methylpyrazol-1-yl)propylazanium has a molecular weight of 174.66 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)propylazanium is sourced from PubChem (CID 7018521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).