(1-pyridin-3-ylpyrazol-3-yl)chloranium

C8H7ClN3+ — CID 149343803

IUPAC(1-pyridin-3-ylpyrazol-3-yl)chloranium
SMILES[ClH+]c1ccn(-c2cccnc2)n1
InChIInChI=1S/C8H7ClN3/c9-8-3-5-12(11-8)7-2-1-4-10-6-7/h1-6,9H/q+1
InChIKeyYERLVFHVVYXXHZ-UHFFFAOYSA-N
MW180.62 g/mol
LogP0.96
Rot. Bonds1

About (1-pyridin-3-ylpyrazol-3-yl)chloranium

(1-pyridin-3-ylpyrazol-3-yl)chloranium (PubChem CID 149343803) has the molecular formula C8H7ClN3+ and a molecular weight of 180.62 g/mol. Its IUPAC name is (1-pyridin-3-ylpyrazol-3-yl)chloranium.

Molecular Properties

Compound Name(1-pyridin-3-ylpyrazol-3-yl)chloranium
PubChem CID149343803
Molecular FormulaC8H7ClN3+
Molecular Weight180.62 g/mol
Exact Mass180.03
IUPAC Name(1-pyridin-3-ylpyrazol-3-yl)chloranium
SMILES[ClH+]c1ccn(-c2cccnc2)n1
InChIInChI=1S/C8H7ClN3/c9-8-3-5-12(11-8)7-2-1-4-10-6-7/h1-6,9H/q+1
InChIKeyYERLVFHVVYXXHZ-UHFFFAOYSA-N
XLogP0.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.62
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-pyridin-3-ylpyrazol-3-yl)chloranium 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

3-(3-chloropyrazol-1-yl)pyridine;hydrochloride
CID 118023472
ethane;1-pyridin-3-ylpyrazol-3-amine
CID 145010559
3-(3-ethoxypyrazol-1-yl)pyridine
CID 125454155
3-imidazol-1-ylpyridine;dihydrochloride
CID 91642740
1-pyridin-3-yl-1,2,4-triazole-3-carboxylic acid
CID 76845333
3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
CID 86705832
3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine
CID 158876961
1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one
CID 46873499
5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 58072535
(4-tert-butylphenyl)methyl 1-pyridin-3-ylpyrazole-3-carboxylate
CID 166359913
3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride
CID 142766793
3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
CID 58336788

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-3-ylpyrazol-3-yl)chloranium?
The IUPAC name of (1-pyridin-3-ylpyrazol-3-yl)chloranium (CID 149343803) is (1-pyridin-3-ylpyrazol-3-yl)chloranium.
What is the SMILES notation for (1-pyridin-3-ylpyrazol-3-yl)chloranium?
The canonical SMILES for (1-pyridin-3-ylpyrazol-3-yl)chloranium is [ClH+]c1ccn(-c2cccnc2)n1.
What is the InChIKey of (1-pyridin-3-ylpyrazol-3-yl)chloranium?
The InChIKey is YERLVFHVVYXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN3/c9-8-3-5-12(11-8)7-2-1-4-10-6-7/h1-6,9H/q+1.
What are the key properties of (1-pyridin-3-ylpyrazol-3-yl)chloranium?
(1-pyridin-3-ylpyrazol-3-yl)chloranium has a molecular weight of 180.62 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-3-ylpyrazol-3-yl)chloranium is sourced from PubChem (CID 149343803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).