N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide

C11H14F3N3O — CID 126758512

IUPACN-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide
SMILESC=C(c1cnn(C(C)C)c1NC(C)=O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-6(2)17-10(16-8(4)18)9(5-15-17)7(3)11(12,13)14/h5-6H,3H2,1-2,4H3,(H,16,18)
InChIKeyCLMPDNZELFZKCS-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.00
Rot. Bonds3

About N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide

N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide (PubChem CID 126758512) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide
PubChem CID126758512
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide
SMILESC=C(c1cnn(C(C)C)c1NC(C)=O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-6(2)17-10(16-8(4)18)9(5-15-17)7(3)11(12,13)14/h5-6H,3H2,1-2,4H3,(H,16,18)
InChIKeyCLMPDNZELFZKCS-UHFFFAOYSA-N
XLogP3.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide (CID 126758512) is N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide is C=C(c1cnn(C(C)C)c1NC(C)=O)C(F)(F)F.
What is the InChIKey of N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is CLMPDNZELFZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(2)17-10(16-8(4)18)9(5-15-17)7(3)11(12,13)14/h5-6H,3H2,1-2,4H3,(H,16,18).
What are the key properties of N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide?
N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 261.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 126758512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).