4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C11H11F3N4O2 — CID 63103958

IUPAC4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)6-18(5-7-2-1-3-20-7)10(19)9-8(15)4-16-17-9/h1-4H,5-6,15H2,(H,16,17)
InChIKeyRBIXZRZZEUDFSQ-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.79
Rot. Bonds4

About 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63103958) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID63103958
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)6-18(5-7-2-1-3-20-7)10(19)9-8(15)4-16-17-9/h1-4H,5-6,15H2,(H,16,17)
InChIKeyRBIXZRZZEUDFSQ-UHFFFAOYSA-N
XLogP1.79
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 63103958) is 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RBIXZRZZEUDFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c12-11(13,14)6-18(5-7-2-1-3-20-7)10(19)9-8(15)4-16-17-9/h1-4H,5-6,15H2,(H,16,17).
What are the key properties of 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 288.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).