1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide

C11H10ClFN4O — CID 79727906

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ncc(Cl)cc2F)n1
InChIInChI=1S/C11H10ClFN4O/c1-16(2)11(18)9-3-4-17(15-9)10-8(13)5-7(12)6-14-10/h3-6H,1-2H3
InChIKeyQNPNYEOIXVJHSN-UHFFFAOYSA-N
MW268.68 g/mol
LogP1.76
Rot. Bonds2

About 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide

1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 79727906) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID79727906
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ncc(Cl)cc2F)n1
InChIInChI=1S/C11H10ClFN4O/c1-16(2)11(18)9-3-4-17(15-9)10-8(13)5-7(12)6-14-10/h3-6H,1-2H3
InChIKeyQNPNYEOIXVJHSN-UHFFFAOYSA-N
XLogP1.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (CID 79727906) is 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2ncc(Cl)cc2F)n1.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is QNPNYEOIXVJHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-16(2)11(18)9-3-4-17(15-9)10-8(13)5-7(12)6-14-10/h3-6H,1-2H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 268.68 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 79727906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).