N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C19H16ClFN4O2 — CID 58689729

IUPACN-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)N(C(=O)c1c(C)nn(C)c1F)c1ccccc1-c1ccc(Cl)cn1
InChIInChI=1S/C19H16ClFN4O2/c1-11-17(18(21)24(3)23-11)19(27)25(12(2)26)16-7-5-4-6-14(16)15-9-8-13(20)10-22-15/h4-10H,1-3H3
InChIKeyCWMNUUVWMSXAHW-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.78
Rot. Bonds3

About N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 58689729) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID58689729
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC NameN-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)N(C(=O)c1c(C)nn(C)c1F)c1ccccc1-c1ccc(Cl)cn1
InChIInChI=1S/C19H16ClFN4O2/c1-11-17(18(21)24(3)23-11)19(27)25(12(2)26)16-7-5-4-6-14(16)15-9-8-13(20)10-22-15/h4-10H,1-3H3
InChIKeyCWMNUUVWMSXAHW-UHFFFAOYSA-N
XLogP3.78
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 58689729) is N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is CC(=O)N(C(=O)c1c(C)nn(C)c1F)c1ccccc1-c1ccc(Cl)cn1.
What is the InChIKey of N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is CWMNUUVWMSXAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-11-17(18(21)24(3)23-11)19(27)25(12(2)26)16-7-5-4-6-14(16)15-9-8-13(20)10-22-15/h4-10H,1-3H3.
What are the key properties of N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-(5-chloro-2-pyridinyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 58689729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).