3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide

C9H7F3N6O — CID 71533266

IUPAC3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESNc1nc(C(F)(F)F)cnc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H7F3N6O/c10-9(11,12)4-3-14-6(7(13)16-4)8(19)17-5-1-2-15-18-5/h1-3H,(H2,13,16)(H2,15,17,18,19)
InChIKeyNMSPFFAERNQCAK-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.05
Rot. Bonds2

About 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide

3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 71533266) has the molecular formula C9H7F3N6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID71533266
Molecular FormulaC9H7F3N6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESNc1nc(C(F)(F)F)cnc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H7F3N6O/c10-9(11,12)4-3-14-6(7(13)16-4)8(19)17-5-1-2-15-18-5/h1-3H,(H2,13,16)(H2,15,17,18,19)
InChIKeyNMSPFFAERNQCAK-UHFFFAOYSA-N
XLogP1.05
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 71533266) is 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide is Nc1nc(C(F)(F)F)cnc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is NMSPFFAERNQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N6O/c10-9(11,12)4-3-14-6(7(13)16-4)8(19)17-5-1-2-15-18-5/h1-3H,(H2,13,16)(H2,15,17,18,19).
What are the key properties of 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide?
3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 272.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-pyrazol-5-yl)-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 71533266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).