4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine

C9H8ClN3 — CID 121212215

IUPAC4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine
SMILESClCc1cn[nH]c1-c1ccncc1
InChIInChI=1S/C9H8ClN3/c10-5-8-6-12-13-9(8)7-1-3-11-4-2-7/h1-4,6H,5H2,(H,12,13)
InChIKeyMSIXWJITRATCCH-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.21
Rot. Bonds2

About 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine

4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine (PubChem CID 121212215) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine
PubChem CID121212215
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine
SMILESClCc1cn[nH]c1-c1ccncc1
InChIInChI=1S/C9H8ClN3/c10-5-8-6-12-13-9(8)7-1-3-11-4-2-7/h1-4,6H,5H2,(H,12,13)
InChIKeyMSIXWJITRATCCH-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(5-pyridin-4-yl-1H-pyrazol-4-yl)ethanamine
CID 121213838
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 118289528
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 166211654
4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037377
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395317
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131
2-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenol
CID 135677555
(1S,5R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(pyridin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70780001

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine (CID 121212215) is 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine is ClCc1cn[nH]c1-c1ccncc1.
What is the InChIKey of 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is MSIXWJITRATCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-5-8-6-12-13-9(8)7-1-3-11-4-2-7/h1-4,6H,5H2,(H,12,13).
What are the key properties of 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine?
4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 193.64 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 121212215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).