2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide

C10H9ClF3N5O — CID 19525087

IUPAC2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C10H9ClF3N5O/c1-5-8(9(18-17-5)10(12,13)14)16-7(20)4-19-3-6(11)2-15-19/h2-3H,4H2,1H3,(H,16,20)(H,17,18)
InChIKeyHNLZIRZIIFBYNK-UHFFFAOYSA-N
MW307.66 g/mol
LogP2.23
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide

2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 19525087) has the molecular formula C10H9ClF3N5O and a molecular weight of 307.66 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
PubChem CID19525087
Molecular FormulaC10H9ClF3N5O
Molecular Weight307.66 g/mol
Exact Mass307.04
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C10H9ClF3N5O/c1-5-8(9(18-17-5)10(12,13)14)16-7(20)4-19-3-6(11)2-15-19/h2-3H,4H2,1H3,(H,16,20)(H,17,18)
InChIKeyHNLZIRZIIFBYNK-UHFFFAOYSA-N
XLogP2.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide (CID 19525087) is 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide is Cc1[nH]nc(C(F)(F)F)c1NC(=O)Cn1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is HNLZIRZIIFBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5O/c1-5-8(9(18-17-5)10(12,13)14)16-7(20)4-19-3-6(11)2-15-19/h2-3H,4H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 307.66 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 19525087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).