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

C13H16F3N5O — CID 154833804

IUPACN-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCn1nccc1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5O/c1-2-3-7-21-11(4-6-17-21)18-12(22)9-20-8-5-10(19-20)13(14,15)16/h4-6,8H,2-3,7,9H2,1H3,(H,18,22)
InChIKeyUQMAHAHQVXUCOR-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.54
Rot. Bonds6

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

N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 154833804) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID154833804
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC NameN-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCn1nccc1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5O/c1-2-3-7-21-11(4-6-17-21)18-12(22)9-20-8-5-10(19-20)13(14,15)16/h4-6,8H,2-3,7,9H2,1H3,(H,18,22)
InChIKeyUQMAHAHQVXUCOR-UHFFFAOYSA-N
XLogP2.54
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 154833804) is N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCCCn1nccc1NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is UQMAHAHQVXUCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-2-3-7-21-11(4-6-17-21)18-12(22)9-20-8-5-10(19-20)13(14,15)16/h4-6,8H,2-3,7,9H2,1H3,(H,18,22).
What are the key properties of N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 315.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 154833804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).