N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide

C17H14ClFN4O — CID 71580126

IUPACN-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cc(Cl)ccn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-14-9-12(18)7-8-20-14)22-23(2)16(10)11-3-5-13(19)6-4-11/h3-9H,1-2H3,(H,20,21,24)
InChIKeyYPYRUNYMDILNQG-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.84
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide

N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 71580126) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID71580126
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC NameN-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cc(Cl)ccn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-14-9-12(18)7-8-20-14)22-23(2)16(10)11-3-5-13(19)6-4-11/h3-9H,1-2H3,(H,20,21,24)
InChIKeyYPYRUNYMDILNQG-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide (CID 71580126) is N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2cc(Cl)ccn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is YPYRUNYMDILNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-14-9-12(18)7-8-20-14)22-23(2)16(10)11-3-5-13(19)6-4-11/h3-9H,1-2H3,(H,20,21,24).
What are the key properties of N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide?
N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 344.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 71580126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).