N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide

C10H8ClFN4O — CID 23592300

IUPACN-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C10H8ClFN4O/c1-16-9(12)4-7(15-16)10(17)14-6-2-3-8(11)13-5-6/h2-5H,1H3,(H,14,17)
InChIKeyJLFZMSQJJWUADH-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.86
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide

N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide (PubChem CID 23592300) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide
PubChem CID23592300
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC NameN-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C10H8ClFN4O/c1-16-9(12)4-7(15-16)10(17)14-6-2-3-8(11)13-5-6/h2-5H,1H3,(H,14,17)
InChIKeyJLFZMSQJJWUADH-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide (CID 23592300) is N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(Cl)nc2)cc1F.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide?
The InChIKey is JLFZMSQJJWUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c1-16-9(12)4-7(15-16)10(17)14-6-2-3-8(11)13-5-6/h2-5H,1H3,(H,14,17).
What are the key properties of N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide?
N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-5-fluoro-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 23592300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).