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

C9H8F3N5O — CID 61393519

IUPACN-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccn[nH]1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)6-2-4-17(16-6)5-8(18)14-7-1-3-13-15-7/h1-4H,5H2,(H2,13,14,15,18)
InChIKeyNSLBXVSTPDEBPC-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.26
Rot. Bonds3

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

N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 61393519) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID61393519
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC NameN-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccn[nH]1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)6-2-4-17(16-6)5-8(18)14-7-1-3-13-15-7/h1-4H,5H2,(H2,13,14,15,18)
InChIKeyNSLBXVSTPDEBPC-UHFFFAOYSA-N
XLogP1.26
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 61393519) is N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is NSLBXVSTPDEBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c10-9(11,12)6-2-4-17(16-6)5-8(18)14-7-1-3-13-15-7/h1-4H,5H2,(H2,13,14,15,18).
What are the key properties of N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 259.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 61393519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).