4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine

C10H12ClN3 — CID 145383752

IUPAC4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine
SMILESCc1nn(C(C)C)c2ccnc(Cl)c12
InChIInChI=1S/C10H12ClN3/c1-6(2)14-8-4-5-12-10(11)9(8)7(3)13-14/h4-6H,1-3H3
InChIKeyFCMYTNLGTMIYAJ-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.97
Rot. Bonds1

About 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine

4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine (PubChem CID 145383752) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine
PubChem CID145383752
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine
SMILESCc1nn(C(C)C)c2ccnc(Cl)c12
InChIInChI=1S/C10H12ClN3/c1-6(2)14-8-4-5-12-10(11)9(8)7(3)13-14/h4-6H,1-3H3
InChIKeyFCMYTNLGTMIYAJ-UHFFFAOYSA-N
XLogP2.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine?
The IUPAC name of 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine (CID 145383752) is 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine is Cc1nn(C(C)C)c2ccnc(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine?
The InChIKey is FCMYTNLGTMIYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6(2)14-8-4-5-12-10(11)9(8)7(3)13-14/h4-6H,1-3H3.
What are the key properties of 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine?
4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine has a molecular weight of 209.68 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine is sourced from PubChem (CID 145383752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).