N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide

C15H10ClF3N4O2 — CID 13127603

IUPACN-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(C#N)cnn1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N4O2/c1-8(24)22(9(2)25)14-10(6-20)7-21-23(14)13-4-3-11(5-12(13)16)15(17,18)19/h3-5,7H,1-2H3
InChIKeyRFGSLQKZYYIUHH-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.32
Rot. Bonds2

About N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide

N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide (PubChem CID 13127603) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide
PubChem CID13127603
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC NameN-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(C#N)cnn1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N4O2/c1-8(24)22(9(2)25)14-10(6-20)7-21-23(14)13-4-3-11(5-12(13)16)15(17,18)19/h3-5,7H,1-2H3
InChIKeyRFGSLQKZYYIUHH-UHFFFAOYSA-N
XLogP3.32
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide?
The IUPAC name of N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide (CID 13127603) is N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide?
The canonical SMILES for N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide is CC(=O)N(C(C)=O)c1c(C#N)cnn1-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide?
The InChIKey is RFGSLQKZYYIUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c1-8(24)22(9(2)25)14-10(6-20)7-21-23(14)13-4-3-11(5-12(13)16)15(17,18)19/h3-5,7H,1-2H3.
What are the key properties of N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide?
N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide has a molecular weight of 370.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]acetamide is sourced from PubChem (CID 13127603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).