N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide

C10H10F3N5O2 — CID 164880372

IUPACN-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cnn(CCOC(F)(F)F)c1
InChIInChI=1S/C10H10F3N5O2/c11-10(12,13)20-4-3-18-6-7(5-15-18)9(19)16-8-1-2-14-17-8/h1-2,5-6H,3-4H2,(H2,14,16,17,19)
InChIKeyPGDPRADGVGMOKR-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.39
Rot. Bonds5

About N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide

N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide (PubChem CID 164880372) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide
PubChem CID164880372
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC NameN-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cnn(CCOC(F)(F)F)c1
InChIInChI=1S/C10H10F3N5O2/c11-10(12,13)20-4-3-18-6-7(5-15-18)9(19)16-8-1-2-14-17-8/h1-2,5-6H,3-4H2,(H2,14,16,17,19)
InChIKeyPGDPRADGVGMOKR-UHFFFAOYSA-N
XLogP1.39
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide (CID 164880372) is N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide is O=C(Nc1ccn[nH]1)c1cnn(CCOC(F)(F)F)c1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide?
The InChIKey is PGDPRADGVGMOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c11-10(12,13)20-4-3-18-6-7(5-15-18)9(19)16-8-1-2-14-17-8/h1-2,5-6H,3-4H2,(H2,14,16,17,19).
What are the key properties of N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide?
N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide has a molecular weight of 289.22 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164880372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).