2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C12H10ClF3N4O — CID 43445462

IUPAC2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESNc1cnn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C12H10ClF3N4O/c13-10-2-1-8(3-9(10)12(14,15)16)19-11(21)6-20-5-7(17)4-18-20/h1-5H,6,17H2,(H,19,21)
InChIKeyYMGCXLOGEAVUFT-UHFFFAOYSA-N
MW318.69 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 43445462) has the molecular formula C12H10ClF3N4O and a molecular weight of 318.69 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID43445462
Molecular FormulaC12H10ClF3N4O
Molecular Weight318.69 g/mol
Exact Mass318.05
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESNc1cnn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C12H10ClF3N4O/c13-10-2-1-8(3-9(10)12(14,15)16)19-11(21)6-20-5-7(17)4-18-20/h1-5H,6,17H2,(H,19,21)
InChIKeyYMGCXLOGEAVUFT-UHFFFAOYSA-N
XLogP2.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 43445462) is 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is Nc1cnn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YMGCXLOGEAVUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O/c13-10-2-1-8(3-9(10)12(14,15)16)19-11(21)6-20-5-7(17)4-18-20/h1-5H,6,17H2,(H,19,21).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 318.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 43445462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).