2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide

C11H11ClN4O — CID 43547697

IUPAC2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccnc1Cl
InChIInChI=1S/C11H11ClN4O/c1-6-9(7(2)16-15-6)14-11(17)8-4-3-5-13-10(8)12/h3-5H,1-2H3,(H,14,17)(H,15,16)
InChIKeyTYEFZCBPPBHKPC-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.33
Rot. Bonds2

About 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide

2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 43547697) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide
PubChem CID43547697
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccnc1Cl
InChIInChI=1S/C11H11ClN4O/c1-6-9(7(2)16-15-6)14-11(17)8-4-3-5-13-10(8)12/h3-5H,1-2H3,(H,14,17)(H,15,16)
InChIKeyTYEFZCBPPBHKPC-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide (CID 43547697) is 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is TYEFZCBPPBHKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-6-9(7(2)16-15-6)14-11(17)8-4-3-5-13-10(8)12/h3-5H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide?
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 43547697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).