4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

C10H11F6N3O — CID 141430246

IUPAC4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(CCC(F)(F)F)c1CCC(F)(F)F
InChIInChI=1S/C10H11F6N3O/c11-9(12,13)3-1-5-6(2-4-10(14,15)16)18-19-7(5)8(17)20/h1-4H2,(H2,17,20)(H,18,19)
InChIKeyHRUWRQDMPQFMRB-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.50
Rot. Bonds5

About 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (PubChem CID 141430246) has the molecular formula C10H11F6N3O and a molecular weight of 303.21 g/mol. Its IUPAC name is 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
PubChem CID141430246
Molecular FormulaC10H11F6N3O
Molecular Weight303.21 g/mol
Exact Mass303.08
IUPAC Name4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(CCC(F)(F)F)c1CCC(F)(F)F
InChIInChI=1S/C10H11F6N3O/c11-9(12,13)3-1-5-6(2-4-10(14,15)16)18-19-7(5)8(17)20/h1-4H2,(H2,17,20)(H,18,19)
InChIKeyHRUWRQDMPQFMRB-UHFFFAOYSA-N
XLogP2.50
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (CID 141430246) is 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is NC(=O)c1n[nH]c(CCC(F)(F)F)c1CCC(F)(F)F.
What is the InChIKey of 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HRUWRQDMPQFMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O/c11-9(12,13)3-1-5-6(2-4-10(14,15)16)18-19-7(5)8(17)20/h1-4H2,(H2,17,20)(H,18,19).
What are the key properties of 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 303.21 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 141430246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).